3FN6
Crystal structure of sortase A from Streptococcus pyogenes serotype M1 strain SF370 with the active site Cys in its sulphenic acid form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-07-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 65.951, 69.799, 39.867 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.260 - 1.900 |
| R-factor | 0.1894 |
| Rwork | 0.187 |
| R-free | 0.22728 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t2p |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.592 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.260 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 15111 | |
| <I/σ(I)> | 19.7 | 5.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM Tris (pH 6 - 7), 20 30 % (w/v) polyethyleneglycol (PEG) 8000 and 200 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
