2WQB
Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-19 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 80.164, 108.791, 101.573 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.970 - 2.950 |
R-factor | 0.19873 |
Rwork | 0.196 |
R-free | 0.25858 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvr |
RMSD bond length | 0.015 |
RMSD bond angle | 1.494 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.970 | 3.110 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.120 | 0.440 |
Number of reflections | 9451 | |
<I/σ(I)> | 12.2 | 1.78 |
Completeness [%] | 98.3 | 99.1 |
Redundancy | 5.3 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 293 | 5 MG/ML PROTEIN, 5% (W/V) PEG6000, 5% (V/V) MPD, 100MM MOPS PH7.5, 293K |