3ZJJ
Phe(93)E11Leu mutation of M.acetivorans protoglobin in complex with cyanide
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 | 124.900, 48.290, 99.120 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 98.800 - 2.000 |
| R-factor | 0.20518 |
| Rwork | 0.202 |
| R-free | 0.26263 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2veb |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.502 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.260 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.140 | 0.380 |
| Number of reflections | 39922 | |
| <I/σ(I)> | 5.6 | 2.8 |
| Completeness [%] | 99.4 | 99.6 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.01 | 20% PEG 4000, 10% ISOPROPANOL, 0.1 M HEPES PH 7.0, 0.02 M POTASSIUM FERRICYANIDE, 0.01 M KCN |
