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 |
