7Q6M
Structure of WrbA from Yersinia pseudotuberculosis in P1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2013-09-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 |
Unit cell lengths | 60.690, 63.860, 66.360 |
Unit cell angles | 61.21, 77.90, 86.93 |
Refinement procedure
Resolution | 43.860 - 2.040 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r96 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.170 | 2.090 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmeas | 0.079 | 0.154 |
Rpim | 0.051 | 0.109 |
Number of reflections | 123249 | 2434 |
<I/σ(I)> | 1.17 | 1.72 |
Completeness [%] | 91.4 | 59.7 |
Redundancy | 2.5 | |
CC(1/2) | 0.995 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 0.01 M nickel chloride hexahydrate, 0.1 M Tris pH 8.5, 20 % w/v PEG MME 2000 |