4PDS
Crystal structure of Rad53 kinase domain and SCD2 in complex with AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.149, 77.539, 222.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.213 - 2.900 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pdp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.894 |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.097 | 0.648 |
| Number of reflections | 14414 | |
| <I/σ(I)> | 21.6 | 2.8 |
| Completeness [%] | 98.7 | 97.8 |
| Redundancy | 8.5 | 7.5 |
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 |
