5LH8
Trypsin inhibitors for the treatment of pancreatitis - cpd 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-06-27 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.951, 58.024, 65.811 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.520 - 1.540 |
R-factor | 0.154 |
Rwork | 0.152 |
R-free | 0.18200 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.180 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 65.810 |
High resolution limit [Å] | 1.540 |
Number of reflections | 30977 |
<I/σ(I)> | 15.64 |
Completeness [%] | 99.1 |
Redundancy | 7.51 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% PEG3350, 0.2 M LISO4, 100 MM HEPES PH 7.5 Crystallization Protein Solution = 100 MG/ML IN H2O. Complex Formation Method = Soaking Crystallization Protocol = equal volumes (2ul+2ul) Crystallization Method = Vapor diffusion - Hanging drop Crystallization Temperature = 298.0 Cryo Protocol = The crystal was flash frozen in liquid nitrogen Pictures = Remarks = SAOKING WITH cpd 8 at 10 mM for 4 hours. |