4OCJ
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2013-08-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97874, 0.97893, 0.96353 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.367, 79.510, 98.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.600 - 1.571 |
| R-factor | 0.16224 |
| Rwork | 0.161 |
| R-free | 0.18306 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.256 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.571 | 1.571 |
| Rmerge | 0.086 | 0.447 |
| Number of reflections | 56696 | |
| <I/σ(I)> | 130.12 | 6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.4 | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 20% PEG3350, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
