3TRH
Structure of a phosphoribosylaminoimidazole carboxylase catalytic subunit (purE) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.266, 96.292, 152.724 |
| Unit cell angles | 90.00, 91.95, 90.00 |
Refinement procedure
| Resolution | 40.802 - 2.203 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.773 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.095 | 0.059 | 0.470 |
| Number of reflections | 122264 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 96.3 | 93.8 | 91.2 |
| Redundancy | 2.9 | 3.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.2M ammonium formate, 14% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
