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 |