3ZJL
Leu(142)G4Ala 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 | P 1 21 1 |
| Unit cell lengths | 50.610, 48.070, 80.350 |
| Unit cell angles | 90.00, 101.90, 90.00 |
Refinement procedure
| Resolution | 25.430 - 1.500 |
| R-factor | 0.12222 |
| Rwork | 0.120 |
| R-free | 0.16390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2veb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.253 |
| 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] | 26.210 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.080 |
| Number of reflections | 58766 | |
| <I/σ(I)> | 23.5 | 13 |
| Completeness [%] | 96.9 | 99.6 |
| Redundancy | 3.3 | 3.3 |
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 |
