5IA0
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.035, 90.149, 200.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.865 - 1.948 |
R-factor | 0.1942 |
Rwork | 0.194 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mqb |
RMSD bond length | 0.008 |
RMSD bond angle | 0.977 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.200 | 2.070 |
High resolution limit [Å] | 1.948 | 1.948 |
Rpim | 0.117 | 1.658 |
Number of reflections | 76440 | |
<I/σ(I)> | 12.28 | |
Completeness [%] | 99.8 | |
Redundancy | 7.41 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 37.5 % MPD_P1k_P3350, 0.3 M Carboxylic Acids, 0.1 M BufferSystem3 pH 8.5 |