6Z9K
CAP domain of Enterococcal PrgA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.078118 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.874, 35.998, 84.854 |
Unit cell angles | 90.00, 114.47, 90.00 |
Refinement procedure
Resolution | 45.700 - 1.500 |
R-factor | 0.1649 |
Rwork | 0.163 |
R-free | 0.20130 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.760 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.700 | 45.700 | 1.590 |
High resolution limit [Å] | 1.500 | 4.480 | 1.500 |
Rmerge | 0.068 | 0.039 | 0.936 |
Rmeas | 0.076 | 0.043 | 1.065 |
Total number of observations | 353880 | ||
Number of reflections | 72114 | 2926 | 9999 |
<I/σ(I)> | 11.55 | 36.85 | 1.26 |
Completeness [%] | 96.6 | 98.6 | 84 |
Redundancy | 4.907 | 4.743 | 4.398 |
CC(1/2) | 0.999 | 0.998 | 0.424 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.02 M Na/KPO4, 0.1 M Bis-Tris propane pH 6.5, 20% PEG 3350 |