5F6M
Isotropic Trypsin Model for Comparison of Diffuse Scattering
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 273 |
| Detector technology | PIXEL |
| Collection date | 2014-01-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.810, 58.510, 67.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.837 - 1.100 |
| R-factor | 0.1453 |
| Rwork | 0.145 |
| R-free | 0.15450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ibg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.616 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.837 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.035 | 0.319 |
| Number of reflections | 70752 | |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 79.9 | 20.1 |
| Redundancy | 4 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Lyophilized bovine pancreas trypsin was purchased from Sigma-Aldrich (T1005) and dissolved at a concentration of 30 mg/mL into 30mM HEPES pH 7.0, 5 mg/mL benzamidine and 3mM CaCl2. Crystals were obtained from a solution of 200mM Ammonium sulfate, 100mM Na cacodylate pH 6.5, 20% PEG 8000 and 15% glycerol. |
