coagulation factor VIIa / response to Thyroid stimulating hormone / response to 2,3,7,8-tetrachlorodibenzodioxine / response to astaxanthin / response to thyrotropin-releasing hormone / response to genistein / serine-type peptidase complex / positive regulation of platelet-derived growth factor receptor signaling pathway / response to vitamin K / response to carbon dioxide ...coagulation factor VIIa / response to Thyroid stimulating hormone / response to 2,3,7,8-tetrachlorodibenzodioxine / response to astaxanthin / response to thyrotropin-releasing hormone / response to genistein / serine-type peptidase complex / positive regulation of platelet-derived growth factor receptor signaling pathway / response to vitamin K / response to carbon dioxide / response to thyroxine / response to cholesterol / response to growth hormone / positive regulation of positive chemotaxis / Extrinsic Pathway of Fibrin Clot Formation / positive regulation of leukocyte chemotaxis / positive regulation of TOR signaling / positive regulation of blood coagulation / animal organ regeneration / Gamma-carboxylation of protein precursors / Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus / Removal of aminoterminal propeptides from gamma-carboxylated proteins / serine-type peptidase activity / BMAL1:CLOCK,NPAS2 activates circadian gene expression / protein processing / Golgi lumen / circadian rhythm / response to estrogen / blood coagulation / response to estradiol / collagen-containing extracellular matrix / vesicle / response to hypoxia / positive regulation of cell migration / endoplasmic reticulum lumen / signaling receptor binding / serine-type endopeptidase activity / calcium ion binding / extracellular space / extracellular region / plasma membrane Similarity search - Function
Mass: 18.015 Da / Num. of mol.: 446 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Mosaicity: 0.783 °
Crystal grow
Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: ROTATING ANODE / Type: BRUKER AXS MICROSTAR / Wavelength: 1.54178 Å
Detector
Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Feb 19, 2008
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.54178 Å / Relative weight: 1
Reflection
Resolution: 1.24→50 Å / Num. obs: 114725 / % possible obs: 75.9 % / Redundancy: 8 % / Biso Wilson estimate: 18.654 Å2 / Rmerge(I) obs: 0.056 / Χ2: 1.001 / Net I/av σ(I): 27.279 / Net I/σ(I): 13.2 / Num. measured all: 923374
Reflection shell
Diffraction-ID: 1 / Rejects: 0
Resolution (Å)
Redundancy (%)
Num. unique all
% possible all
Χ2
Rmerge(I) obs
1.24-1.28
1
160
1.1
1.28-1.34
1.3
2458
16.5
1.02
1.34-1.4
2.2
7197
48.1
1.079
1.4-1.47
3.5
13509
90.1
0.972
0.877
1.47-1.56
6.6
15013
100
0.953
0.636
1.56-1.68
9.7
15024
100
0.992
0.354
1.68-1.85
9.9
15095
100
1.031
0.181
1.85-2.12
10.1
15178
100
1.01
0.094
2.12-2.67
10.2
15259
100
1.007
0.062
2.67-50
9.8
15832
99.9
0.997
0.038
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Processing
Software
Name
Version
Classification
NB
SCALEPACK
datascaling
BUSTER
2.1.1
refinement
PDB_EXTRACT
3.22
dataextraction
XDS
datareduction
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: inhouse model Resolution: 1.4→33.65 Å / Cross valid method: THROUGHOUT / σ(F): 0 Details: the numbering follows that of the unprocessed precursor. the ligand may have occupancy less than 1. Trp424 flips underneath the 5-Hydroxy-1H-pyrazole. The main-chain around Trp424 has at ...Details: the numbering follows that of the unprocessed precursor. the ligand may have occupancy less than 1. Trp424 flips underneath the 5-Hydroxy-1H-pyrazole. The main-chain around Trp424 has at least two conformations and is largely disordered. several water molecules have been modeled with occupancies less than 1 and adopt mutually exclusive positions.
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