Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1996-10-01 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.510, 61.430, 32.990 |
Unit cell angles | 90.00, 114.87, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.500 |
Rwork | 0.191 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | X-RAY COORDINATES OF BOWMAN-BIRK INHIBITOR FROM ADZUKI BEAN |
Data reduction software | MOSFLM |
Data scaling software | SCALEIT |
Phasing software | AMoRE |
Refinement software | REFMAC (3.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 4072 | |
<I/σ(I)> | 13.9 | 5.8 |
Completeness [%] | 99.0 | 94.7 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 30% SATURATED AMMONIUM SULFATE 0.1M CITRATE-PHOSPHATE, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |