3ZJI
Tyr(61)B10Ala 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 | 50.450, 47.960, 80.420 |
Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
Resolution | 26.220 - 1.500 |
R-factor | 0.13671 |
Rwork | 0.135 |
R-free | 0.16944 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2veb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.251 |
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] | 26.220 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.060 | 0.080 |
Number of reflections | 57199 | |
<I/σ(I)> | 16.4 | 11.1 |
Completeness [%] | 94.7 | 96.8 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 25% PEG 4000, 10% ISOPROPANOL, 0.1 M HEPES PH 7.5, 0.02 M POTASSIUM FERRICYANIDE, 0.01 M KCN |