2ZIA
C4S dCK variant of dCK in complex with cladribine+UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.760, 44.090, 94.640 |
| Unit cell angles | 90.00, 95.71, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.20695 |
| Rwork | 0.202 |
| R-free | 0.24991 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p5z |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.552 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.114 | 0.627 |
| Number of reflections | 52169 | |
| <I/σ(I)> | 11.7 | 3.3 |
| Completeness [%] | 99.4 | 96.9 |
| Redundancy | 6.1 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 1.0M Sodium Citrate, 100mM Hepes, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
