7F8H
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-07 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.99984 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 144.281, 50.420, 144.281 |
| Unit cell angles | 90.00, 101.85, 90.00 |
Refinement procedure
| Resolution | 56.003 - 3.300 |
| R-factor | 0.2389 |
| Rwork | 0.234 |
| R-free | 0.28130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zma |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.498 |
| Data reduction software | XDS |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.010 | 3.420 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 17269 | 3080 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.989 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M sodium citrate tribasic dihydrate, 20% PEG 3350 |
