Mass: 18.015 Da / Num. of mol.: 185 / 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
Density Matthews: 2.55 Å3/Da / Density % sol: 51.73 % / Description: thin planks (0.2 mm x 0.1 mm x 0.02 mm
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 7 mg/ml of protein in 50 mM Hepes buffer (pH 7.5) with 150 mM NaCl, mixesd with 1:1 ratio with 18% (w/v) PEG 3350, 0.2 M amonium formate PH range: 6.5-8.5
Rfactor: 52.34 / Model details: Phaser MODE: MR_AUTO
Highest resolution
Lowest resolution
Rotation
2.5 Å
24.96 Å
Translation
2.5 Å
24.96 Å
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Processing
Software
Name
Version
Classification
SERGUI
datacollection
SCALEPACK
datascaling
PHASER
2.1.1
phasing
REFMAC
refinement
PDB_EXTRACT
3.2
dataextraction
HKL-3000
datareduction
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.1→79.38 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.93 / SU B: 4.457 / SU ML: 0.12 / SU R Cruickshank DPI: 0.2227 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.223 / ESU R Free: 0.201 Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2304
1080
3.5 %
RANDOM
Rwork
0.1687
-
-
-
obs
0.1707
30056
75.47 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
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