5TKQ
Crystal structure of human 3HAO with zinc 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 | 2015-06-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.12709 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 57.336, 57.336, 417.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.150 - 1.750 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qnk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| 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] | 38.150 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 42900 | |
| <I/σ(I)> | 11.7 | 0.4 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.1 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M HEPES pH 7.5, 2% PEG 400, and 2.0 M ammonium sulfate |
