3EPO
Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.021, 103.193, 83.105 |
| Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
| Resolution | 41.060 - 2.100 |
| R-factor | 0.156 |
| Rwork | 0.152 |
| R-free | 0.22700 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.001 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.137 | 0.096 | 0.345 |
| Number of reflections | 56042 | ||
| Completeness [%] | 94.1 | 97.2 | 76.2 |
| Redundancy | 2.7 | 3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.4 M sodium citrate, 0.1 M sodium HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 298K |
