6ZC2
Crystal structure of RahU protein in complex with TRIS molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-30 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.338, 48.112, 40.422 |
Unit cell angles | 90.00, 110.16, 90.00 |
Refinement procedure
Resolution | 41.463 - 1.130 |
R-factor | 0.1392 |
Rwork | 0.139 |
R-free | 0.15630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oeb |
RMSD bond length | 0.005 |
RMSD bond angle | 0.756 |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | XSCALE (Jan 26, 2018) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.463 | 41.463 | 1.190 |
High resolution limit [Å] | 1.120 | 3.360 | 1.120 |
Rmerge | 0.036 | 0.023 | 0.386 |
Rmeas | 0.042 | 0.027 | 0.468 |
Total number of observations | 192688 | ||
Number of reflections | 59138 | 2275 | 9300 |
<I/σ(I)> | 17.19 | 49.93 | 2.95 |
Completeness [%] | 98.9 | 98.5 | 96.8 |
Redundancy | 3.258 | 3.575 | 3.02 |
CC(1/2) | 0.999 | 0.999 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Tris/HCl pH 8.5, PEG 8000 |