4ES9
Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
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 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.080, 117.134, 73.036 |
Unit cell angles | 90.00, 106.46, 90.00 |
Refinement procedure
Resolution | 19.730 - 2.000 |
R-factor | 0.1742 |
Rwork | 0.172 |
R-free | 0.21480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4es8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.042 | 19.727 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.044 | 0.441 | |
Total number of observations | 8999 | 41558 | |
Number of reflections | 76117 | ||
<I/σ(I)> | 6.4 | 14.8 | 1.7 |
Completeness [%] | 98.4 | 95.7 | 99.2 |
Redundancy | 3.7 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 23 % (w/v) PEG3350, 200 mM K Acetate, pH 7.4, 0.02 MG/ML CHYMOTRYPSIN (Type VII, TLCK-treated, Sigma-Aldrich), temperature 291K, VAPOR DIFFUSION, HANGING DROP |