5EQ4
Crystal structure of the SrpA adhesin R347E mutant from Streptococcus sanguinis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.700, 88.055, 199.214 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.350 - 2.300 |
R-factor | 0.2045 |
Rwork | 0.202 |
R-free | 0.25670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.457 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.095 | 0.041 | 0.563 |
Rmeas | 0.105 | 0.046 | 0.651 |
Rpim | 0.045 | 0.020 | 0.316 |
Total number of observations | 157498 | ||
Number of reflections | 33121 | ||
<I/σ(I)> | 7.6 | ||
Completeness [%] | 91.8 | 88.9 | 71.6 |
Redundancy | 4.8 | 5.3 | 3.6 |
CC(1/2) | 0.983 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM Na cacodylate, 0.2 M NaCH3COO, 30% PEG 8000 |