5Y5G
Structure of cytochrome P450nor in NO-bound state: damaged by high-dose (5.7 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 | 2015-05-18 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.189, 75.477, 101.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.972 - 1.360 |
R-factor | 0.1349 |
Rwork | 0.133 |
R-free | 0.16620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cl6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.028 |
Data scaling software | SCALEPACK (1.10.1_2155) |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.380 |
High resolution limit [Å] | 1.360 | 3.690 | 1.360 |
Rmerge | 0.062 | 0.025 | 0.680 |
Rmeas | 0.066 | 0.027 | 0.734 |
Rpim | 0.024 | 0.010 | 0.274 |
Number of reflections | 87504 | 3990 | 4484 |
<I/σ(I)> | 9.1 | ||
Completeness [%] | 95.2 | 80.9 | 98.9 |
Redundancy | 7.2 | 6.8 | 7 |
CC(1/2) | 0.999 | 0.840 |
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 |