3ZJH
Trp(60)B9Ala mutation of M.acetivorans protoglobin in complex with cyanide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.510, 47.660, 80.220 |
| Unit cell angles | 90.00, 107.22, 90.00 |
Refinement procedure
| Resolution | 28.360 - 1.700 |
| R-factor | 0.15206 |
| Rwork | 0.149 |
| R-free | 0.21487 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2veb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.221 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.860 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.110 | 0.410 |
| Number of reflections | 38690 | |
| <I/σ(I)> | 8.7 | 3.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% PEG 4000, 10% ISOPROPANOL, 0.1 M HEPES PH 7.0, 0.02 M POTASSIUM FERRICYANIDE, 0.01 M KCN |
