6W44
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-23 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979180 |
| Spacegroup name | I 4 |
| Unit cell lengths | 96.999, 96.999, 80.194 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.130 - 1.640 |
| R-factor | 0.1432 |
| Rwork | 0.142 |
| R-free | 0.16280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rdu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.809 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.130 | 1.670 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.064 | 0.478 |
| Number of reflections | 45699 | 2239 |
| <I/σ(I)> | 26.3 | 1.2 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 8.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M TRIS.HCl pH 8.5, 25 %(v/v) PEG 550 MME |
