4UOF
Crystallographic structure of nucleoside diphosphate kinase from Litopenaeus vannamei complexed with dADP
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 | 2013-11-01 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.110, 134.380, 104.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.854 - 2.102 |
| R-factor | 0.1926 |
| Rwork | 0.190 |
| R-free | 0.24930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1be4 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.394 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.140 | 0.620 |
| Number of reflections | 26320 | |
| <I/σ(I)> | 15.4 | 2.7 |
| Completeness [%] | 91.2 | 95.1 |
| Redundancy | 7.8 | 5.4 |
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 |
