3GLE
Crystal Structure of the Major Pilin from Streptococcus pyogenes N168A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.712, 50.869, 123.200 |
Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
Resolution | 18.000 - 2.190 |
R-factor | 0.20879 |
Rwork | 0.205 |
R-free | 0.27783 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b2n |
RMSD bond length | 0.012 |
RMSD bond angle | 1.351 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0078) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.190 | 2.200 |
Number of reflections | 40313 | |
<I/σ(I)> | 38.7 | 6.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.4 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2M MOPS/KOH pH7.5, 21% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |