3QHR
Structure of a pCDK2/CyclinA transition-state mimic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.690, 163.910, 73.280 |
Unit cell angles | 90.00, 107.38, 90.00 |
Refinement procedure
Resolution | 37.805 - 2.170 |
R-factor | 0.1805 |
Rwork | 0.179 |
R-free | 0.20980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNPUBLISHED STRUCTURE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.216 |
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] | 37.805 | 37.805 | 2.290 |
High resolution limit [Å] | 2.170 | 6.860 | 2.170 |
Rmerge | 0.012 | 0.012 | |
Number of reflections | 83902 | ||
<I/σ(I)> | 7.4 | 13.5 | 0.5 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 3.9 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 22% w/v Poly(acrylic acid sodium salt) 5100, 20mM MgCl2, 100mM HEPES pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |