1KDT
CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH 2',3'-DIDEOXY-CYTIDINE MONOPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.648, 75.313, 78.037 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.950 |
| R-factor | 0.221 * |
| Rwork | 0.221 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cmk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.190 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.073 * | 0.396 * |
| Total number of observations | 503844 * | |
| Number of reflections | 32964 * | |
| <I/σ(I)> | 9.9 | 2.61 |
| Completeness [%] | 93.0 | 96.1 |
| Redundancy | 15.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 20 * | Ammonium Sulphate, TRIS-HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP at 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 0.4 (M) | |
| 2 | 1 | reservoir | Tris-HCl | 50 (mM) | pH7.4 |
