4YPR
Crystal Structure of D144N MutY bound to its anti-substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | P 61 |
Unit cell lengths | 105.272, 105.272, 235.374 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 85.014 - 2.590 |
R-factor | 0.1724 |
Rwork | 0.169 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rrq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.446 |
Data reduction software | XDS |
Data scaling software | SCALA (0.1.27) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 117.690 | 2.730 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.119 | 1.117 |
Rpim | 0.054 | |
Total number of observations | 262741 | |
Number of reflections | 45851 | |
<I/σ(I)> | 15.5 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.7 | 5.8 |
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 100 mM Tris, pH 8.6, 1.75 M (NH4)2SO4 |