6QEQ
PcfF from Enterococcus faecalis pCF10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-19 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.848, 61.482, 89.117 |
Unit cell angles | 90.00, 100.97, 90.00 |
Refinement procedure
Resolution | 37.813 - 1.900 |
R-factor | 0.2029 |
Rwork | 0.202 |
R-free | 0.24770 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.364 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.813 | 37.813 | 1.860 |
High resolution limit [Å] | 1.760 | 5.240 | 1.760 |
Rmerge | 0.057 | 0.030 | 2.630 |
Rmeas | 0.067 | 0.036 | 3.137 |
Total number of observations | 361156 | ||
Number of reflections | 99328 | 3766 | 15117 |
<I/σ(I)> | 9.73 | 39.62 | 0.31 |
Completeness [%] | 97.8 | 98.9 | 91.6 |
Redundancy | 3.636 | 3.788 | 3.364 |
CC(1/2) | 0.999 | 0.998 | 0.136 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Lithium sulphate, 0.1 M Bis-Tris pH 6.5, 25% (w/v) PEG 3350 |