6MWE
CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | P 41 |
Unit cell lengths | 63.810, 63.810, 177.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.120 - 2.050 |
R-factor | 0.149 |
Rwork | 0.148 |
R-free | 0.16600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oo8 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.335 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.120 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.051 | 0.478 |
Rmeas | 0.061 | 0.017 |
Number of reflections | 44133 | 484 |
<I/σ(I)> | 18.43 | 2.81 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 3.183 | 3.308 |
CC(1/2) | 0.999 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | JCSG+ screen e4: 1.26M ammonium sulphate: 200mM lithium sulphate, 100mM Tris pH 8.5: cryo: 25% EG in 3 steps |