2ESM
Crystal Structure of ROCK 1 bound to fasudil
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 | 2002-10-11 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 181.046, 181.046, 89.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.880 - 3.200 |
Rwork | 0.245 |
R-free | 0.26900 |
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 (7.1SSI) |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.880 | 3.130 |
High resolution limit [Å] | 3.020 | 3.020 |
Number of reflections | 33360 | |
<I/σ(I)> | 6.3 | |
Completeness [%] | 87.8 | 65.6 |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 298 | 0.45mM protein, 5% PEG3350, 100mM MES, 50mM CaCl2, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50 |