3ZJQ
M.acetivorans protoglobin in complex with nicotinamide
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 QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.530, 48.210, 81.010 |
| Unit cell angles | 90.00, 102.75, 90.00 |
Refinement procedure
| Resolution | 79.010 - 1.900 |
| R-factor | 0.17836 |
| Rwork | 0.177 |
| R-free | 0.21138 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2veb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.062 |
| 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] | 49.280 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.310 |
| Number of reflections | 30234 | |
| <I/σ(I)> | 10.6 | 4.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 18% PEG 4000, 10% ISOPROPANOL, 0.1 M HEPES PH 7.5, 0.01 M POTASSIUM FERRICYANIDE, 0.04 M NICOTINAMIDE |
