4OCU
N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2012-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.526, 73.526, 166.266 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.904 |
| R-factor | 0.17955 |
| Rwork | 0.178 |
| R-free | 0.20063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ocj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.293 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.904 | 1.904 |
| Rmerge | 0.086 | 0.449 |
| Number of reflections | 34696 | |
| <I/σ(I)> | 36.43 | 7.89 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 14.2 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 1.5 M lithium sulfate, 0.1 M sodium acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
