5Y5F
Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-06 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.916, 75.667, 101.811 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.973 - 1.500 |
R-factor | 0.1618 |
Rwork | 0.161 |
R-free | 0.18560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cl6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.049 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.077 | 0.044 | 0.517 |
Rmeas | 0.084 | 0.049 | 0.571 |
Rpim | 0.033 | 0.019 | 0.237 |
Number of reflections | 67790 | 3633 | 3313 |
<I/σ(I)> | 12.3 | ||
Completeness [%] | 99.4 | 99 | 98 |
Redundancy | 5.6 | 5.7 | 5.2 |
CC(1/2) | 0.996 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 17% PEG 10000, 0.1 M BIS-TRIS 0.1 M Ammonium acetate |