7V3R
Crystal structure of CMET in complex with a novel inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.083, 80.833, 90.774 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.070 - 1.700 |
R-factor | 0.1686 |
Rwork | 0.168 |
R-free | 0.18960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gg5 |
Data reduction software | DIALS |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.093 | 0.057 | 0.426 |
Total number of observations | 254375 | ||
Number of reflections | 35736 | 1963 | 1773 |
<I/σ(I)> | 8.8 | ||
Completeness [%] | 100.0 | 99.6 | 99.9 |
Redundancy | 7.1 | 6.7 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES, 8% isopropanol, 3 mM TECP, 16% PEG4000, pH7.5 |