5U5V
CcP gateless cavity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.1158 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.088, 74.937, 106.764 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.084 - 1.222 |
R-factor | 0.1376 |
Rwork | 0.137 |
R-free | 0.15640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.339 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER (2.6.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.940 | 74.940 | 1.250 |
High resolution limit [Å] | 1.220 | 5.470 | 1.220 |
Rmerge | 0.047 | 0.033 | 0.196 |
Rmeas | 0.049 | ||
Rpim | 0.014 | ||
Total number of observations | 1084153 | ||
Number of reflections | 103662 | ||
<I/σ(I)> | 21.1 | ||
Completeness [%] | 85.2 | 99.8 | 17.8 |
Redundancy | 10.5 | 11.6 | 3.2 |
CC(1/2) | 0.999 | 0.997 | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 283 | Compound soaked into crystal grown in equal volume of 500mM MES buffer (pH 6.0) and 25% MPD |