5UZJ
Crystal Structure of ROCK1 bound to an aminopyridine inhibitor
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] | 100 |
Detector technology | CCD |
Collection date | 2004-03-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 183.970, 183.970, 91.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.920 - 3.300 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.24100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | pdbid 2ETR |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (8.0SSI) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.070 | 29.070 | 3.420 |
High resolution limit [Å] | 3.300 | 7.080 | 3.300 |
Rmerge | 0.138 | 0.041 | 0.475 |
Rmeas | 0.138 | ||
Total number of observations | 184546 | ||
Number of reflections | 26075 | ||
<I/σ(I)> | 9.1 | 23.6 | 3.4 |
Completeness [%] | 95.9 | 91 | 98.9 |
Redundancy | 6.72 | 6.74 | 6.63 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 298 | 4.5% PEG3350, 100MM MES, 50MM CACL2, 10MM DTT, 0.45 MM PROTEIN, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |