5EOB
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 | 2012-03-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.880, 43.390, 86.080 |
| Unit cell angles | 90.00, 92.68, 90.00 |
Refinement procedure
| Resolution | 23.915 - 1.750 |
| R-factor | 0.1736 |
| Rwork | 0.173 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.083 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.920 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.061 | 0.024 | 0.384 |
| Rmeas | 0.085 | 0.034 | 0.538 |
| Total number of observations | 99851 | ||
| Number of reflections | 51912 | 457 | 3856 |
| <I/σ(I)> | 11.04 | 24.35 | 2.97 |
| Completeness [%] | 94.1 | 73.5 | 94.4 |
| Redundancy | 1.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 19-20%(w/v)PEG 3350, 200mM MgSO4, 100mM Tris-HCl |
