2ETR
Crystal Structure of ROCK I bound to Y-27632
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 32-ID |
Synchrotron site | APS |
Beamline | 32-ID |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2001-10-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 180.865, 180.865, 91.456 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.830 - 2.600 |
R-factor | 0.252 |
Rwork | 0.251 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1atp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.680 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.086 | 0.410 |
Number of reflections | 48059 | |
<I/σ(I)> | 10.6 | |
Completeness [%] | 90.8 | 46.3 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 4.5% PEG3350, 100mM MES, pH 5.5, 50mM CaCl2, 10mM DTT, 0.45 mM protein, VAPOR DIFFUSION, HANGING DROP, temperature 298K |