3NPL
Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant
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 | CCD |
Collection date | 2009-03-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 117.078, 117.078, 273.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.400 |
R-factor | 0.2027 |
Rwork | 0.201 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uwh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.375 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.525 | 42.525 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.126 | 0.036 | 0.827 |
Total number of observations | 26290 | 114323 | |
Number of reflections | 74965 | ||
<I/σ(I)> | 15.4 | 16.2 | 0.9 |
Completeness [%] | 99.7 | 99.3 | 99.6 |
Redundancy | 10.6 | 9.9 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 277 | 2M (NH4)2SO4, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |