1W7Z
Crystal structure of the free (uncomplexed) Ecballium elaterium trypsin inhibitor (EETI-II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-05-16 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.160, 82.340, 62.930 |
Unit cell angles | 90.00, 118.80, 90.00 |
Refinement procedure
Resolution | 55.130 - 1.670 |
R-factor | 0.197 |
Rwork | 0.194 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h9h |
RMSD bond length | 0.020 |
RMSD bond angle | 1.814 |
Data reduction software | DENZO |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.130 | 1.800 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.070 | 0.430 |
Number of reflections | 35516 | |
<I/σ(I)> | 14 | 3 |
Completeness [%] | 96.0 | 99 |
Redundancy | 4.4 | 3.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 2M NA-FORMATE 0.1 M NA-ACETATE PH 4.6 |