2ZI9
C4S-E247A dCK variant of dCK in complex with cladribine+ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.390, 132.710, 157.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.510 |
| R-factor | 0.23878 |
| Rwork | 0.228 |
| R-free | 0.33226 |
| Structure solution method | Rigid body refinement |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.636 |
| 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 | 2.660 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.084 | 0.640 |
| Number of reflections | 20415 | |
| <I/σ(I)> | 11.5 | 2.1 |
| Completeness [%] | 98.4 | 93.6 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.0M Sodium Citrate, 100mM Hepes, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
