1NB2
Crystal Structure of Nucleoside Diphosphate Kinase from Bacillus Halodenitrificans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL17B2 |
Synchrotron site | NSRRC |
Beamline | BL17B2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-11-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.116 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 114.070, 114.070, 114.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 * - 2.200 |
R-factor | 0.229 |
Rwork | 0.213 |
R-free | 0.25200 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.734 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.062 * | |
Number of reflections | 21145 | |
<I/σ(I)> | 16.1 | 3.4 |
Completeness [%] | 95.6 * | 64 |
Redundancy | 7.03 * | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 18 * | Sodium Formate, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5.0 (mg/ml) | |
2 | 1 | reservoir | sodium formate | 4.2 (M) | |
3 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |