2ICI
Crystal Structure of Streptococcal Pyrogenic Exotoxin I
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Collection date | 2006-05-03 |
Wavelength(s) | 0.97903, 0.97942, 0.96418, 0.97795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.864, 80.441, 43.054 |
Unit cell angles | 90.00, 99.51, 90.00 |
Refinement procedure
Resolution | 22.380 - 1.560 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.22700 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.324 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.620 |
High resolution limit [Å] | 1.560 | 1.560 |
Number of reflections | 57515 | |
<I/σ(I)> | 28.6 | 7.7 |
Completeness [%] | 98.8 | 91.3 |
Redundancy | 3.52 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |