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 |