4MP4
Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-08 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.198, 103.358, 51.057 |
Unit cell angles | 90.00, 91.09, 90.00 |
Refinement procedure
Resolution | 36.317 - 2.498 |
R-factor | 0.1943 |
Rwork | 0.191 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jbb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.031 |
Data reduction software | HKL-3000 |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.498 | 2.498 |
Rmerge | 0.110 | 0.453 |
Number of reflections | 32775 | |
<I/σ(I)> | 11.2 | 2.5 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 3.8 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | protein in 10 mM HEPES, pH 7.5, 5 mM GSH, reservoir: MCSG2(E10) (0.8 M lithium sulfate, 0.1 M sodium acetate, pH 4.6), cryoprotection: 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |