4DU6
Crystal structure of GTP cyclohydrolase I from Yersinia pestis complexed with GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97937 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.047, 104.912, 70.070 |
| Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
| Resolution | 43.198 - 2.106 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gtp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.482 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_920)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.106 | 2.100 |
| Number of reflections | 70010 | |
| <I/σ(I)> | 10.7 | 2.3 |
| Completeness [%] | 97.1 | 80.9 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.8M Lithium Chloride; 0.1M TRIS HCl pH 8.5; 8% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
