6GQ3
Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.700, 83.520, 110.290 |
| Unit cell angles | 90.00, 90.65, 90.00 |
Refinement procedure
| Resolution | 33.650 - 1.850 |
| R-factor | 0.17991 |
| Rwork | 0.178 |
| R-free | 0.22462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ct9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.390 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.650 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.087 | 0.794 |
| Rpim | 0.067 | 0.624 |
| Number of reflections | 100002 | 4932 |
| <I/σ(I)> | 9.7 | 1.3 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.996 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 0.2 M NaCl, 0.1 M sodium HEPES buffer, pH 7.5, and 12% w/v PEG 8000 |
