3TQI
Structure of the GMP synthase (guaA) from Coxiella burnetii
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 | 2011-07-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.913, 143.953, 107.885 |
| Unit cell angles | 90.00, 97.66, 90.00 |
Refinement procedure
| Resolution | 39.010 - 2.840 |
| R-factor | 0.24666 |
| Rwork | 0.245 |
| R-free | 0.28133 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.221 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.900 |
| High resolution limit [Å] | 2.840 | 2.850 |
| Number of reflections | 53026 | |
| <I/σ(I)> | 20.3 | 3.3 |
| Completeness [%] | 99.3 | 99.6 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M imidazole, 0.1 M calcium acetate, 19% PEG 1000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
