2J1M
P450 BM3 Heme domain in complex with DMSO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.765, 86.849, 159.408 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.040 - 1.700 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bu7 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.512 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.350 | 1.790 |
| High resolution limit [Å] | 1.650 | 1.700 |
| Rmerge | 0.080 | 0.710 |
| Number of reflections | 125177 | |
| <I/σ(I)> | 15.33 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.64 | 6.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.04 M ZINC ACETATE, 15 % (W/V) PEG3350, 14 % (V/V) DMSO |
