9NWF
Structure of an inactive beta-D-glucuronate dehydratase mutant in complex with chondrosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-01-29 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.543, 105.840, 179.944 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.600 |
| R-factor | 0.1948 |
| Rwork | 0.191 |
| R-free | 0.26150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.962 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmeas | 0.191 | 0.994 |
| Rpim | 0.092 | 0.500 |
| Number of reflections | 58307 | 2858 |
| <I/σ(I)> | 7.5 | 1.3 |
| Completeness [%] | 98.7 | 98.9 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.995 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.25M sodium iodide, 5-13% glycerol, and 8-13% PEG 3350 |
