4UOH
Crystallographic structure of nucleoside diphosphate kinase from Litopenaeus vannamei complexed with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-26 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.806, 120.835, 103.273 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.887 - 2.007 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SHRIMP NDK STRUCTURE TO BE DEPOSITED |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.169 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.800 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.140 | 0.740 |
| Number of reflections | 29462 | |
| <I/σ(I)> | 16.7 | 3.4 |
| Completeness [%] | 99.6 | 96.4 |
| Redundancy | 8.2 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2 M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1 M TRIS-HCL PH 8.5 AND 30% (W/V) PEG 4,000 |
