5AZQ
Crystal structure of cyano-cobalt(III) tetradehydrocorrin in the heme pocket of horse heart myoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-05 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.90000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.774, 28.808, 63.258 |
Unit cell angles | 90.00, 105.64, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.400 |
R-factor | 0.13147 |
Rwork | 0.128 |
R-free | 0.18931 |
RMSD bond length | 0.027 |
RMSD bond angle | 3.070 |
Data reduction software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 23585 | |
<I/σ(I)> | 22.6 | 2.4 |
Completeness [%] | 97.8 | 95.5 |
Redundancy | 3.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | ammonium sulfate, Tris-HCl, trehalose |