2DXD
Crystal structure of nucleoside diphosphate kinase in complex with ATP analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-12-27 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 2 |
Unit cell lengths | 115.622, 115.622, 194.171 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.150 - 1.770 |
R-factor | 0.169 |
Rwork | 0.169 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cwk |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.710 | 1.830 |
High resolution limit [Å] | 1.770 | 1.770 |
Number of reflections | 48556 | |
<I/σ(I)> | 34.5 | |
Completeness [%] | 99.4 | 94.3 |
Redundancy | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Na Citrate, Bicine, 10mM ANP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |