4ES8
Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P212121
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979420, 0.95369, 0.97941 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.270, 117.780, 85.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 1.580 |
R-factor | 0.1517 |
Rwork | 0.150 |
R-free | 0.18120 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | SHARP |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.803 | 19.880 | 1.660 |
High resolution limit [Å] | 1.579 | 4.990 | 1.580 |
Rmerge | 0.026 | 0.457 | |
Total number of observations | 58871 | 137780 | |
Number of reflections | 83319 | ||
<I/σ(I)> | 35.1 | 24 | 1.7 |
Completeness [%] | 98.7 | 98.5 | 91.6 |
Redundancy | 20.4 | 20.6 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 25 % (w/v) PEG3350, 400 mM K Acetate, pH 7.4, 0.02 MG/ML CHYMOTRYPSIN (Type VII, TLCK-treated, Sigma-Aldrich), temperature 291K, VAPOR DIFFUSION, HANGING DROP |