3H7O
Crystal structure of scabies mite inactivated protease paralogue S-I1 (SMIPP-S-I1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.415, 80.578, 114.693 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.350 - 1.850 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fi8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.996 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.17) |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.350 | 57.350 | 1.950 |
| High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
| Rmerge | 0.067 | 0.055 | 0.324 |
| Total number of observations | 4929 | 9926 | |
| Number of reflections | 34997 | ||
| <I/σ(I)> | 7.115 | 9.8 | 2.3 |
| Completeness [%] | 91.8 | 91.9 | 72.2 |
| Redundancy | 4 | 4.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 22% v/v PEG 8000, 10% v/v Glycerol, 0.1 M Tris-HCl pH 8.5, 0.2 M Magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
