3AAI
X-ray crystal structure of CsoR from Thermus thermophilus HB8
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787, 0.9, 0.9793 |
| Spacegroup name | P 32 |
| Unit cell lengths | 63.198, 63.198, 81.033 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.680 - 2.100 |
| R-factor | 0.244 |
| Rwork | 0.244 |
| R-free | 0.28800 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.067 | 0.309 |
| Number of reflections | 21026 | |
| <I/σ(I)> | 55.8 | 5.5 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 10.3 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 5% MPD, 4.25M Na Formate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
