1SZE
L230A mutant flavocytochrome b2 with benzoylformate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9750 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 163.027, 163.027, 112.473 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.000 - 3.000 |
| R-factor | 0.20266 |
| Rwork | 0.200 |
| R-free | 0.24918 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 1FCB |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.825 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.072 | 0.326 |
| Number of reflections | 31503 | |
| <I/σ(I)> | 7.86 | 1.69 |
| Completeness [%] | 90.5 | 90.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.1 M citrate, 0.2 M NaBr, 12-15% PEG3350, 18-20% glycerol, 50 mM benzoylformate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
