1B4S
STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE H122G MUTANT
Experimental procedure
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE D41A |
Synchrotron site | LURE |
Beamline | D41A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-07 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.000, 70.000, 151.770 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 2.500 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.30500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kdn |
RMSD bond length | 0.012 |
RMSD bond angle | 2.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 | |
High resolution limit [Å] | 2.500 | 2.500 * |
Rmerge | 0.083 | 0.300 * |
Total number of observations | 150824 * | |
Number of reflections | 15492 * | |
Completeness [%] | 99.9 | |
Redundancy | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 18 * | pH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | PEG400 | 21 (%) | |
2 | 1 | drop | 20 (mM) | ||
3 | 1 | drop | Tris-HCl | 100 (mM) | |
4 | 1 | drop | ATP | 10 (mM) | |
5 | 1 | reservoir | PEG400 | 42 (%) |