5UCA
Crystal structure of human Heme Oxygenase-2 in complex with Laurate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97921 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.363, 83.920, 138.297 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.650 - 2.117 |
R-factor | 0.1949 |
Rwork | 0.193 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uc8 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.797 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.065 | 0.025 | 0.385 |
Rmeas | 0.075 | ||
Rpim | 0.037 | ||
Total number of observations | 197403 | ||
Number of reflections | 51449 | ||
<I/σ(I)> | 17 | ||
Completeness [%] | 99.4 | 96.1 | 99.2 |
Redundancy | 3.8 | 3.8 | 3.5 |
CC(1/2) | 0.999 | 0.869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M Bis-Tris (pH 6.5) and 24% (w/v) PEG 2000 monomethyl ether |