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 |