3EIF
1.9 angstrom crystal structure of the active form of the C5a peptidase from Streptococcus pyogenes (ScpA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 167.561, 167.561, 141.759 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.150 - 1.900 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xf1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.160 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.123 | 0.943 |
| Number of reflections | 92097 | |
| <I/σ(I)> | 17.6 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.1 | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.5M ammonium sulfate, 0.2M HEPES/KOH, pH 7.6-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
