3ZJO
M.acetivorans protoglobin in complex with azide
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 | C 1 2 1 |
Unit cell lengths | 119.880, 48.820, 80.590 |
Unit cell angles | 90.00, 122.60, 90.00 |
Refinement procedure
Resolution | 32.910 - 1.800 |
R-factor | 0.19256 |
Rwork | 0.189 |
R-free | 0.25627 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2veb |
RMSD bond length | 0.015 |
RMSD bond angle | 1.447 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.620 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.400 |
Number of reflections | 35389 | |
<I/σ(I)> | 8.4 | 3.4 |
Completeness [%] | 97.1 | 97.5 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 30% PEG 4000, 0.2 M LITHIUM SULPHATE, 0.1 M HEPES PH 7.5, 0.01 M POTASSIUM FERRICYANIDE, 0.1 M SODIUM AZIDE |