1KNQ
Crystal structure of gluconate kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Wavelength(s) | 0.995 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.951, 79.294, 89.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.800 - 2.000 |
R-factor | 0.21 * |
Rwork | 0.209 |
R-free | 0.25700 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.370 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.054 * | 0.271 |
Total number of observations | 135276 * | |
Number of reflections | 25758 | |
<I/σ(I)> | 12.6 | 4.4 |
Completeness [%] | 99.8 | 98.4 |
Redundancy | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 277 | PEG6000, LiCl, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
3 | 1 | drop | 3 (mM) | ||
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | reservoir | PEG6000 | 17-20 (%(w/v)) | |
6 | 1 | reservoir | 1.4-1.7 (M) | ||
7 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |