3QFV
MRCK beta in complex with TPCA-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.810, 123.360, 85.490 |
Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
Resolution | 39.970 - 2.650 |
R-factor | 0.19599 |
Rwork | 0.192 |
R-free | 0.26757 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MRCK beta in complex with Fasudil |
RMSD bond length | 0.014 |
RMSD bond angle | 1.609 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.030 |
High resolution limit [Å] | 2.630 |
Number of reflections | 25154 |
Completeness [%] | 100.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |