3SVL
Structural basis of the improvement of ChrR - a multi-purpose enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0166 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 107.255, 107.255, 128.251 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.830 - 2.200 |
| R-factor | 0.257 |
| Rwork | 0.237 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rtt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.155 | 0.498 |
| Number of reflections | 22919 | |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 24.5 | 21.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 273 | 10% PEG8000, 0.150M NaCl, 0.1M Ca Acetate, 0.1M BisTris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
