4GG5
Crystal structure of CMET in complex with 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 | 2012-02-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 65.641, 65.641, 186.174 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.968 - 2.423 |
R-factor | 0.2157 |
Rwork | 0.210 |
R-free | 0.26810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.169 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.058 | 2.480 | |
High resolution limit [Å] | 2.420 | 10.820 | 2.420 |
Rmerge | 0.094 | 0.030 | 0.638 |
Number of reflections | 15512 | 199 | 1147 |
<I/σ(I)> | 15.73 | 35.09 | 3.09 |
Completeness [%] | 97.6 | 85.8 | 98.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 8% isopropanol, 3mM TECP, 16% PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |