3QHW
Structure of a pCDK2/CyclinA transition-state mimic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.025, 163.450, 73.390 |
| Unit cell angles | 90.00, 107.08, 90.00 |
Refinement procedure
| Resolution | 39.726 - 1.910 |
| R-factor | 0.1886 |
| Rwork | 0.188 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED MODEL |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.266 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.740 | 39.726 | 2.010 |
| High resolution limit [Å] | 1.908 | 6.040 | 1.908 |
| Rmerge | 0.014 | 0.014 | |
| Number of reflections | 123388 | ||
| <I/σ(I)> | 8.6 | 8.8 | 0.5 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 7.6 | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.25 | 293 | 22% w/v Poly(acrylic acid sodium salt) 5100, 20mM MgCl2, 100mM HEPES pH 8.25, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
