5JAI
Yersinia pestis FabV variant T276G
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979934 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 102.385, 102.385, 84.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.334 - 1.900 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bkr |
RMSD bond length | 0.008 |
RMSD bond angle | 0.978 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.340 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.112 | 1.158 |
Number of reflections | 39909 | |
<I/σ(I)> | 14.4 | 1.8 |
Completeness [%] | 98.7 | 99.6 |
Redundancy | 7.5 | 7.5 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293.15 | 50 mM (NH4)2SO4, 100 mM MES pH 5.6-5.9 26.5-37.5 % PEG4000 |