7R4P
Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | I 4 |
| Unit cell lengths | 97.130, 97.130, 80.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.680 - 1.370 |
| R-factor | 0.1808 |
| Rwork | 0.180 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gmb |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.488 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.680 | 68.680 | 1.410 |
| High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
| Rmerge | 0.033 | 0.018 | 0.819 |
| Rmeas | 0.036 | 0.019 | 0.994 |
| Rpim | 0.014 | 0.008 | 0.547 |
| Total number of observations | 424652 | 5825 | 13578 |
| Number of reflections | 77168 | 912 | 4783 |
| <I/σ(I)> | 20.3 | 69.4 | 1.1 |
| Completeness [%] | 98.1 | 99.5 | 82.3 |
| Redundancy | 5.5 | 6.4 | 2.8 |
| CC(1/2) | 1.000 | 0.999 | 0.523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M MIB, pH 7, 30% PEG1000 |
