2X9E
HUMAN MPS1 IN COMPLEX WITH NMS-P715
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-06 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 105.665, 113.362, 72.485 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 3.100 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.30600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cek |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.100 | 0.450 |
Number of reflections | 7419 | |
<I/σ(I)> | 10.1 | 1.89 |
Completeness [%] | 90.4 | 56.4 |
Redundancy | 2.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 12% PEG 20000, 0.1 M MES PH 6.5 |