3ZJR
M.acetivorans protoglobin in complex with cyanide and Xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.498, 50.169, 51.389 |
| Unit cell angles | 90.00, 100.27, 90.00 |
Refinement procedure
| Resolution | 42.370 - 3.000 |
| R-factor | 0.20825 |
| Rwork | 0.204 |
| R-free | 0.30621 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2veb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.426 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.640 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.140 | 0.300 |
| Number of reflections | 3627 | |
| <I/σ(I)> | 6.4 | 2.3 |
| Completeness [%] | 87.8 | 91.3 |
| Redundancy | 1.9 | 1.9 |
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 |
