1SMJ
Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate
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 |
Collection date | 2003-08-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.900 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 107.312, 166.886, 224.937 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.750 |
R-factor | 0.25751 |
Rwork | 0.253 |
R-free | 0.33848 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fag |
RMSD bond length | 0.034 |
RMSD bond angle | 2.933 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.820 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.069 | 0.491 |
Number of reflections | 53600 | |
<I/σ(I)> | 30.9 | 3.7 |
Completeness [%] | 99.9 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | PEG 2000, MME, 100mM magnesium acetate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |