2ZHD
Exploring trypsin S3 pocket
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2008-01-22 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.000, 63.600, 69.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.940 |
R-factor | 0.176 |
Rwork | 0.162 |
R-free | 0.24600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1k1p |
RMSD bond length | 0.006 |
RMSD bond angle | 0.022 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 18886 | |
<I/σ(I)> | 12.7 | 2.6 |
Completeness [%] | 91.3 | 70.4 |
Redundancy | 3.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 1.9M Ammonium sulfate, 50mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |