1BVY
COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-02-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.840, 94.680, 209.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.030 |
| R-factor | 0.1872 |
| R-free | 0.27540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MOLECULE A OF P450(BM3) HEME DOMAIN AND FALVODOXIN(PDB ENDRY 3FX2) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.046 * | |
| Number of reflections | 63363 | |
| <I/σ(I)> | 14.4 | 3 |
| Completeness [%] | 83.0 | 69.9 |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | free interface diffusion * | 6.8 | LIQUID-LIQUID FREE INTERFACE DIFFUSION AT ROOM TEMPERATURE IN PEG 8000, PIPES PH 6.8, NH4CL. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 0.450 (mM) | |
| 2 | 1 | 1 | potassium phosphate | 50 (mM) | |
| 3 | 1 | 2 | PEG8000 | 40 (%) | |
| 4 | 1 | 2 | PIPES | 100 (mM) | |
| 5 | 1 | 2 | 200 (mM) |
