Mass: 19480.521 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) artificial gene (others) / Production host: Escherichia coli (E. coli)
Mass: 18.015 Da / Num. of mol.: 45 / Source method: isolated from a natural source / Formula: H2O
Has protein modification
Y
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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: 4.43 Å3/Da / Density % sol: 72.22 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 3.35 Details: Diffraction quality crystals grew from 3 uL drops in 24-well sitting drop Cryschem plates (Hampton Research) in 2:1 ratios of crystallant 100 mM Sodium citrate pH 3.35, 8 % (w/v) PEG 3350 ...Details: Diffraction quality crystals grew from 3 uL drops in 24-well sitting drop Cryschem plates (Hampton Research) in 2:1 ratios of crystallant 100 mM Sodium citrate pH 3.35, 8 % (w/v) PEG 3350 and protein equilibrated against 1 mL of crystallant at 293 K.
Resolution: 2.17→56.28 Å / Num. all: 37530 / Num. obs: 18791 / % possible obs: 99.78 % / Redundancy: 2 % / Rmerge(I) obs: 0.01873 / Net I/σ(I): 24.44
Reflection shell
Resolution: 2.17→2.25 Å / Redundancy: 2 % / Rmerge(I) obs: 0.3134 / Mean I/σ(I) obs: 2.68 / % possible all: 98.43
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
XDS
datascaling
SCALA
datascaling
PHENIX
phasing
PHENIX
refinement
PDB_EXTRACT
3.14
dataextraction
Refinement
Resolution: 2.17→56.28 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.938 / SU B: 5.134 / SU ML: 0.127 / Cross valid method: THROUGHOUT / ESU R: 0.164 / ESU R Free: 0.166 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26549
966
5.1 %
RANDOM
Rwork
0.21691
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-
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obs
0.21933
17825
99.77 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK