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 |