4FDV
CobH from Rhodobacter capsulatus (SB1003) in complex with HBA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97630 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.251, 66.028, 48.480 |
| Unit cell angles | 90.00, 98.98, 90.00 |
Refinement procedure
| Resolution | 33.010 - 1.680 |
| R-factor | 0.16713 |
| Rwork | 0.165 |
| R-free | 0.20037 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i1h |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.740 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.700 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.059 | 0.174 |
| Number of reflections | 24344 | |
| <I/σ(I)> | 16.9 | 6.6 |
| Completeness [%] | 97.4 | 95.1 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG 8000, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
