3ZJS
M.acetivorans protoglobin in complex with azide and Xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.980, 48.120, 80.490 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 41.270 - 2.300 |
| R-factor | 0.22286 |
| Rwork | 0.220 |
| R-free | 0.27414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2veb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.191 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.450 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.130 |
| Number of reflections | 17255 | |
| <I/σ(I)> | 6.6 | 4.8 |
| Completeness [%] | 98.8 | 99.6 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% PEG 4000, 10% ISOPROPANOL, 0.1 M HEPES PH 7.0, 0.01 M POTASSIUM FERRICYANIDE, 0.1 M SODIUM AZIDE |
