4XPX
Crystal structure of hemerythrin:wild-type
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 | 2012-06-20 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1 |
Spacegroup name | P 6 |
Unit cell lengths | 83.428, 83.428, 30.894 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.080 - 1.030 |
R-factor | 0.15779 |
Rwork | 0.157 |
R-free | 0.16596 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2avk |
RMSD bond length | 0.028 |
RMSD bond angle | 2.204 |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.080 | 1.070 |
High resolution limit [Å] | 1.030 | 1.030 |
Number of reflections | 57799 | |
<I/σ(I)> | 2.37 | |
Completeness [%] | 99.7 | |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | PEG 400, Ammonium acetate, Hepes |