2J4S
P450 BM3 heme domain in complex with DMSO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-23 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.598, 88.297, 151.274 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.780 - 2.100 |
R-factor | 0.193 |
Rwork | 0.190 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.555 |
Data reduction software | MOSFLM |
Data scaling software | TRUNCATE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.480 | 2.110 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.120 | 0.450 |
Number of reflections | 62273 | |
<I/σ(I)> | 9.34 | 2.04 |
Completeness [%] | 97.4 | 83.7 |
Redundancy | 3.53 | 3.21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |