6GMC
1.2 A resolution structure of human hydroxyacid oxidase 1 bound with FMN and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | I 4 |
| Unit cell lengths | 97.348, 97.348, 80.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.310 - 1.200 |
| R-factor | 0.1352 |
| Rwork | 0.134 |
| R-free | 0.15480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nzl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.376 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.835 | 38.279 | 1.260 |
| High resolution limit [Å] | 1.200 | 3.790 | 1.200 |
| Rmerge | 0.060 | 0.688 | |
| Rmeas | 0.088 | 0.069 | 0.793 |
| Rpim | 0.042 | 0.033 | 0.386 |
| Total number of observations | 484713 | 15906 | 68466 |
| Number of reflections | 115996 | 3724 | 16905 |
| <I/σ(I)> | 8.9 | 23.7 | 1.8 |
| Completeness [%] | 99.5 | 98.8 | 99.5 |
| Redundancy | 4.2 | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 20% PEG3350 -- 10% ethylene glycol -- 0.1M bis-tris-propane pH 7.5 -- 0.2M sodium acetate |
