6GPJ
Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4F-Man
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.080, 114.438, 140.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.900 - 1.940 |
| R-factor | 0.21104 |
| Rwork | 0.210 |
| R-free | 0.23847 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1t2a |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.482 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.910 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 110446 | 8103 |
| <I/σ(I)> | 5.8 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350 -- 0.2M ammonium citrate dibasic |
