4KCX
BRDT in complex with Dinaciclib
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 | 2013-04-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.720, 29.950, 71.380 |
| Unit cell angles | 90.00, 94.12, 90.00 |
Refinement procedure
| Resolution | 19.811 - 2.000 |
| R-factor | 0.2114 |
| Rwork | 0.209 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4flp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.189 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.127 | 0.624 |
| Number of reflections | 18535 | |
| <I/σ(I)> | 7.7 | 3.3 |
| Completeness [%] | 97.0 | 98.1 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 25mM HEPES PH 7.5, 0.1M NaCl, 1mM DTT 0.1M KSCN, 7% PEG3350, 5% ETGLY, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
