3MI4
Bovine trypsin at 0.8 A resolution, non-restrained refinement
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.62 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.220, 58.530, 66.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 0.800 |
Rwork | 0.105 |
R-free | 0.11230 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.031 |
RMSD bond angle | 0.041 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | ACORN |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 0.830 |
High resolution limit [Å] | 0.800 | 0.800 |
Rmerge | 0.057 | 0.757 |
Number of reflections | 220132 | |
<I/σ(I)> | 24.7 | 1.8 |
Completeness [%] | 100.0 | 99.3 |
Redundancy | 5.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Protein solution: 30 mg/ml, 5 mg/ml benzamidine, 3 mM CaCl2, 30 mM HEPES buffer pH 7.0. Well solution: 20% PEG8000, 200 mM Am2SO4, 100 mM cacodylate buffer pH 6.5, 15% glycerol. Protein and well solutions mixed 1:1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |