6W4C
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5
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 | 2019-03-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979180 |
| Spacegroup name | I 4 |
| Unit cell lengths | 97.079, 97.079, 80.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.250 - 1.750 |
| R-factor | 0.1628 |
| Rwork | 0.161 |
| R-free | 0.19340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6w44 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.370 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.250 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.077 | 0.420 |
| Number of reflections | 37879 | 1903 |
| <I/σ(I)> | 25.39 | 8.84 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 6.8 |
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 |
