4P5Q
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99989 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.374, 38.196, 75.771 |
Unit cell angles | 90.00, 101.61, 90.00 |
Refinement procedure
Resolution | 39.189 - 1.350 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.18190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qob |
RMSD bond length | 0.005 |
RMSD bond angle | 1.257 |
Data reduction software | XDS (VERSION January 10, 2014 BUILT=20140115) |
Data scaling software | Aimless (VESION: 0.2.17) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.480 | 47.480 | 1.370 |
High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
Rmerge | 0.049 | 0.027 | 0.705 |
Rpim | 0.028 | 0.018 | 0.398 |
Total number of observations | 261570 | 590 | 12017 |
Number of reflections | 64017 | ||
<I/σ(I)> | 15.9 | 34.1 | 2.1 |
Completeness [%] | 97.1 | 45.3 | 93.2 |
Redundancy | 4.1 | 2.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium cacodylate pH 6.5, 0.15M ammonium sulf ate, 22.5% PEG 3350 |