3TKU
MRCK beta in complex with fasudil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.950, 123.520, 84.770 |
| Unit cell angles | 90.00, 101.13, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.150 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vd5 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.009 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.590 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.116 | 0.467 |
| Number of reflections | 45515 | |
| Completeness [%] | 97.1 | 84.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 10-20% PEG 3350, 0.1 M BISTRIS, 0.1 M SODIUM TARTRATE, 0.1 M AMMONIUM SULPHATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K, VAPOR DIFFUSION, SITTING DROP, pH 5.6 |
