1JJV
DEPHOSPHO-COA KINASE IN COMPLEX WITH ATP
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-17 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9999 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.000, 45.900, 41.700 |
Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.000 |
R-factor | 0.168 |
Rwork | 0.165 |
R-free | 0.21800 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.800 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.057 * | |
Total number of observations | 56478 * | |
Number of reflections | 15767 | |
<I/σ(I)> | 37.2 | 7.5 |
Completeness [%] | 97.6 * | 83 |
Redundancy | 3.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 300 | used microseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 9 (mg/ml) | |
2 | 1 | drop | ammonium sulfate | 2 (M) | |
3 | 1 | drop | PEG400 | 5 (%(w/v)) | |
4 | 1 | drop | 50 (mM) | ||
5 | 1 | drop | MMC | 5 (mM) | |
6 | 1 | drop | dithiothreitol | 1 (mM) | |
7 | 1 | drop | ATP | 10 (mM) | |
8 | 1 | drop | HEPES | 20 (mM) | pH7.0 |