2ETK
Crystal Structure of ROCK 1 bound to hydroxyfasudil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2003-04-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 181.781, 181.781, 91.748 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.910 - 2.960 |
R-factor | 0.278 |
Rwork | 0.277 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1atp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data scaling software | d*TREK (8.0SSI) |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.910 | 3.070 |
High resolution limit [Å] | 2.960 | 2.960 |
Rmerge | 0.062 | 0.343 |
Number of reflections | 34172 | |
<I/σ(I)> | 17.2 | 4.5 |
Completeness [%] | 93.3 | 93.3 |
Redundancy | 7.27 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 298K |