Component-ID: _ / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: LEU / End label comp-ID: LEU / Refine code: _ / Auth seq-ID: 21 - 241 / Label seq-ID: 21 - 241
Dom-ID
Ens-ID
Auth asym-ID
Label asym-ID
1
1
A
A
2
1
B
B
1
2
A
A
2
2
C
C
1
3
B
B
2
3
C
C
NCS ensembles :
ID
1
2
3
-
Components
#1: Protein
t3284
Mass: 25501.869 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Plasmid: pRSETA / Production host: Escherichia coli (E. coli)
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION
-
Sample preparation
Crystal
Density Matthews: 3.37 Å3/Da / Density % sol: 63.46 %
Crystal grow
Temperature: 290 K / Method: vapor diffusion / pH: 6.5 / Details: 0.1M MES pH 6.5, 1.6 M magnesium sulfate
Resolution: 3.27→3.35 Å / Redundancy: 6.9 % / Rmerge(I) obs: 0.67 / Mean I/σ(I) obs: 2.7 / % possible all: 99.9
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0131
refinement
xia2
datareduction
xia2
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.27→53.03 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.958 / SU B: 47.301 / SU ML: 0.331 / Cross valid method: THROUGHOUT / ESU R Free: 0.387 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21073
807
5 %
RANDOM
Rwork
0.1833
-
-
-
obs
0.18468
15473
99.57 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK