3TRI
Structure of a pyrroline-5-carboxylate reductase (proC) 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 | 2011-02-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 |
| Unit cell lengths | 75.411, 75.411, 189.234 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.705 - 2.500 |
| R-factor | 0.1849 |
| Rwork | 0.182 |
| R-free | 0.23540 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.798 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.087 | 0.028 | 0.694 |
| Number of reflections | 21008 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 99.9 | 99.4 | 98.4 |
| Redundancy | 4.3 | 4.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 295 | 0.1M glycine, 1.2M sodium dihydrogen phosphate, 0.8M dipotassium hydrogen phosphate, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
