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 |
