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) |