6SLO
Crystal structure of PUF60 UHM domain in complex with 7,8 dimethoxyperphenazine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.071600 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.520, 89.400, 149.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.036 - 1.940 |
R-factor | 0.1776 |
Rwork | 0.176 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dxb |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.036 | 55.036 | 1.990 |
High resolution limit [Å] | 1.940 | 8.680 | 1.940 |
Rmerge | 0.076 | 0.046 | 0.799 |
Rmeas | 0.085 | 0.052 | 0.889 |
Total number of observations | 413389 | ||
Number of reflections | 81211 | 1017 | 5917 |
<I/σ(I)> | 12.8 | 31.28 | 2.36 |
Completeness [%] | 99.8 | 97.7 | 99.8 |
Redundancy | 5.09 | 5.002 | 5.107 |
CC(1/2) | 0.997 | 0.996 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 1.4M ammonium sulfate, 0.05M K-formate, |