7VXT
Crystal structure of a selenomethionine-labeled BPSL1038 from Burkholderia pseudomallei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97972 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.726, 115.891, 46.812 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.970 - 1.880 |
R-factor | 0.1493 |
Rwork | 0.148 |
R-free | 0.17830 |
Structure solution method | SAD |
RMSD bond length | 0.020 |
RMSD bond angle | 2.155 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.970 | 1.920 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmeas | 0.104 | 0.720 |
Rpim | 0.041 | 0.312 |
Number of reflections | 19376 | 1140 |
<I/σ(I)> | 13.4 | 2.4 |
Completeness [%] | 99.6 | 94.6 |
Redundancy | 6.4 | 5 |
CC(1/2) | 0.997 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M sodium acetate pH 4.6, 2 M sodium formate |