3FN5
Crystal structure of sortase A (Spy1154) from Streptococcus pyogenes serotype M1 strain SF370
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.280, 59.460, 65.110 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 32.270 - 1.500 |
| R-factor | 0.14808 |
| Rwork | 0.146 |
| R-free | 0.19027 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fn6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.585 |
| 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] | 32.270 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.078 | |
| Number of reflections | 44430 | |
| <I/σ(I)> | 12.9 | 2.7 |
| Completeness [%] | 94.7 | 93.7 |
| Redundancy | 3.3 | 3.4 |
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 |
