4ECI
Crystal structure of glutathione s-transferase prk13972 (target efi-501853) from pseudomonas aeruginosa pacs2 complexed with acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-15 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.896, 99.953, 51.494 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.17654 |
| Rwork | 0.175 |
| R-free | 0.20926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gx0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.312 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.830 | |
| Number of reflections | 44316 | |
| <I/σ(I)> | 7.6 | 1.4 |
| Completeness [%] | 97.1 | 69.8 |
| Redundancy | 7.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294 | 0.17M AMMONIUM ACETATE, 0.085M SODIUM CITRATE, 25.5% PEG4000, 15% GLYCEROL, PH 5.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
