4PDP
Crystal structure of Rad53 kinase domain and SCD2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.99 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.430, 79.070, 227.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.855 - 2.591 |
R-factor | 0.2296 |
Rwork | 0.227 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ig1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.613 |
Data reduction software | XDS |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.890 | 2.700 |
High resolution limit [Å] | 2.591 | 2.591 |
Rmerge | 0.067 | 0.153 |
Number of reflections | 21728 | |
<I/σ(I)> | 15.3 | 2.4 |
Completeness [%] | 94.5 | 70.2 |
Redundancy | 6.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% v/v PEG400, 50 mM sodium citrate, 100 mM Tris, pH 8.0 |