5ZMA
Structural basis for an allosteric Eya2 phosphatase inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95380 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 143.985, 49.497, 144.957 |
Unit cell angles | 90.00, 101.21, 90.00 |
Refinement procedure
Resolution | 47.826 - 3.175 |
R-factor | 0.2324 |
Rwork | 0.229 |
R-free | 0.26550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4egc |
RMSD bond length | 0.002 |
RMSD bond angle | 0.551 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.25) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.830 | 47.830 | 3.390 |
High resolution limit [Å] | 3.170 | 8.980 | 3.170 |
Rmerge | 0.095 | 0.025 | 0.649 |
Rmeas | 0.110 | 0.028 | 0.746 |
Rpim | 0.054 | 0.014 | 0.364 |
Number of reflections | 17212 | 809 | 3016 |
<I/σ(I)> | 9.8 | ||
Completeness [%] | 99.0 | 97.7 | 96.9 |
Redundancy | 4 | 3.7 | 4 |
CC(1/2) | 0.998 | 0.999 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Hepes 7.5, 200mM Nacl, 20% PEG 3350 |