3CB0
CobR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.661, 105.084, 140.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.800 - 1.600 |
| R-factor | 0.1966 |
| Rwork | 0.195 |
| R-free | 0.23063 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.046 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.800 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.064 | 0.225 |
| Number of reflections | 97683 | |
| <I/σ(I)> | 18.6 | 6.8 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.5-1.0M Li2S04, 15-20% polyethylene glycol 800, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
