6TN9
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-08 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.91841 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 109.351, 112.691, 70.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.480 - 2.600 |
R-factor | 0.2199 |
Rwork | 0.218 |
R-free | 0.26470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN HOUSE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.548 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.570 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.040 | 0.360 |
Number of reflections | 10410 | 46 |
<I/σ(I)> | 29 | 1.5 |
Completeness [%] | 75.9 | 17.1 |
Redundancy | 4.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 25% GLYCEROL, 1.2 M AS, 0.1 M |