4HGU
Crystal Structure of Galleria mellonella Silk Protease Inhibitor 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-05 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.80000,0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.270, 31.240, 35.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.980 |
| R-factor | 0.1057 |
| Rwork | 0.106 |
| R-free | 0.12360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1an1 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 0.058 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.010 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.072 | 0.460 |
| Number of reflections | 17179 | |
| <I/σ(I)> | 22.52 | 2.04 |
| Completeness [%] | 94.8 | 84.5 |
| Redundancy | 12.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 1.4 M sodium citrate and 0.1 M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
