4KF0
Structure of the A82F P450 BM3 heme domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.95120 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.130, 147.150, 64.020 |
Unit cell angles | 90.00, 97.54, 90.00 |
Refinement procedure
Resolution | 63.470 - 1.450 |
R-factor | 0.1462 |
Rwork | 0.145 |
R-free | 0.17844 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.077 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.078 | 0.355 |
Number of reflections | 178525 | |
Completeness [%] | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 20% PEG 3000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |