5U5Z
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 | 51.251, 73.239, 104.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.414 - 1.260 |
R-factor | 0.1421 |
Rwork | 0.141 |
R-free | 0.16640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.346 |
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] | 73.240 | 73.240 | 1.290 |
High resolution limit [Å] | 1.260 | 5.640 | 1.260 |
Rmerge | 0.062 | 0.030 | 0.739 |
Rmeas | 0.065 | ||
Rpim | 0.018 | ||
Total number of observations | 1022444 | ||
Number of reflections | 90514 | ||
<I/σ(I)> | 14.8 | ||
Completeness [%] | 84.7 | 99.8 | 30.6 |
Redundancy | 11.3 | 11.6 | 5.6 |
CC(1/2) | 0.999 | 1.000 | 0.802 |
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 |