1OJ4
Ternary complex of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.000, 76.300, 68.600 |
| Unit cell angles | 90.00, 107.80, 90.00 |
Refinement procedure
| Resolution | 65.940 - 2.000 * |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.20200 * |
| Structure solution method | OTHER |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.330 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE/RESOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.048 | 0.015 * |
| Total number of observations | 364197 * | |
| Number of reflections | 39761 | |
| <I/σ(I)> | 12.89 | 5.6 |
| Completeness [%] | 94.3 | 92.3 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 20 % POLYETHYLENE GLYCOL 8000 0.2 M MAGNESUIM ACTETATE, 0.1M SODIUM CACODYLATE PH 6.5 20MM SULFOBETAIN |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 20 (%) | |
| 2 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |
| 4 | 1 | reservoir | sulfo-betaine | 0.25 (M) | |
| 5 | 1 | drop | Tris-HCl | 50 (mM) | pH8.5 |
| 6 | 1 | drop | 50 (mM) | ||
| 7 | 1 | drop | protein | 25 (mg/ml) |
