4OCQ
N-acetylhexosamine 1-phosphate kinase in complex with GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Detector technology | CCD |
| Collection date | 2013-05-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.212, 79.623, 98.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.189 - 1.878 |
| R-factor | 0.19248 |
| Rwork | 0.191 |
| R-free | 0.21768 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ocj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.035 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (for MR) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.189 | 1.970 |
| High resolution limit [Å] | 1.878 | 1.878 |
| Rmerge | 0.081 | 0.447 |
| Number of reflections | 33551 | |
| <I/σ(I)> | 19.3 | 4.06 |
| Completeness [%] | 97.7 | 99.8 |
| Redundancy | 6.1 | 5.8 |
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 |
