2XTT
Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-30 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.910, 63.610, 43.870 |
Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
Resolution | 10.000 - 0.930 |
R-free | 0.13970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k1j |
RMSD bond length | 0.018 |
RMSD bond angle | 0.034 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.800 | 0.980 |
High resolution limit [Å] | 0.930 | 0.930 |
Rmerge | 0.040 | 0.340 |
Number of reflections | 135272 | |
<I/σ(I)> | 17.9 | 2.2 |
Completeness [%] | 91.3 | 54 |
Redundancy | 3.4 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | EQUAL AMOUNT OF PROTEIN SOLUTION (9.1 MG/ML PROTEIN COMPLEX IN 0.5 MM MES PH 6.0 BUFFER) AND PRECIPITANT SOLUTION (30% PEG 4000, 0.3 M AMMONIUM ACETATE, 0.1 M NA-ACETATE PH 4.6) WERE MIXED AND EQUILIBRATED AGAINST 0.5 ML PRECIPITANT SOLUTION. |