3URJ
Type IV native endothiapepsin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ELLIOTT GX-21 |
Temperature [K] | 298 |
Detector technology | DIFFRACTOMETER |
Collection date | 1991-01-01 |
Detector | ENRAF-NONIUS FAST |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.110, 75.700, 42.920 |
Unit cell angles | 90.00, 97.04, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.900 |
R-factor | 0.1491 |
Rwork | 0.149 |
R-free | 0.21310 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.006 |
RMSD bond angle | 0.021 |
Data reduction software | MADNESS |
Data scaling software | ROTAVATA (Agrovata) |
Phasing software | FFT |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 10.000 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.046 |
Number of reflections | 19248 |
Completeness [%] | 90.7 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method | 4.5 | 298 | 0.1M acetate buffer, 2.2M ammonium sulphate, 10-fold molar excess of inhibitor DB3 over enzyme; enzyme concentration 2mg/ml at room-temperature. , pH 4.5, Batch method, temperature 298K |