2HUR
Escherichia coli nucleoside diphosphate kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 107 |
Detector technology | CCD |
Collection date | 2006-02-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.904, 76.095, 104.588 |
Unit cell angles | 90.00, 112.99, 90.00 |
Refinement procedure
Resolution | 38.050 - 1.620 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB FILE 2NCK |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.050 | 1.660 |
High resolution limit [Å] | 1.620 | 1.620 |
Number of reflections | 108681 | |
<I/σ(I)> | 16.6 | 2.1 |
Completeness [%] | 99.7 | 97.1 |
Redundancy | 3.5 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.1 M AMMONIUM SULPHATE, 25% PEG 4000 0.1 M SODIUM ACETATE/ACETIC ACID, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |