5E91
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH 3-AMINO-6-[4-(2- HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL] PYRAZINE-2-CARBOXAMIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.860, 75.770, 75.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.410 - 2.420 |
R-factor | 0.2095 |
Rwork | 0.208 |
R-free | 0.24220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tzm |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AMoRE |
Refinement software | BUSTER-TNT (BUSTER 2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.080 | 2.550 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.631 | |
Number of reflections | 14588 | |
<I/σ(I)> | 17.4 | 2.4 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.3 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mm TRIS-HCl, PH 8.5, 150 mm MgCl2, 24%(w/v) PEG4000, 20%(v/v) glcyerol |