3PB5
Endothiapepsin in complex with a fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-30 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.300, 72.990, 52.450 |
Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.900 |
Rwork | 0.161 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.022 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 25453 | |
<I/σ(I)> | 19 | 4.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.1M NH4AC 0.1M Acetat-Puffer pH 4.6 26% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |