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 |
