5TK5
Crystal structure of human 3HAO with iron bound in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.5498 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 57.076, 57.076, 415.871 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.000 - 1.880 |
R-factor | 0.2034 |
Rwork | 0.203 |
R-free | 0.21770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qnk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 1.920 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.478 | |
Number of reflections | 34383 | |
<I/σ(I)> | 8.8 | 1.8 |
Completeness [%] | 99.2 | 87.2 |
Redundancy | 32.9 | 15.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5, 2% PEG 400, and 2.0 M ammonium sulfate |