2VU8
Crystal structure of an insect inhibitor with a fungal trypsin
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 | 2003-10-08 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.353, 70.353, 110.277 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1try |
RMSD bond length | 0.009 |
RMSD bond angle | 1.330 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.310 |
Number of reflections | 29751 | |
<I/σ(I)> | 9.3 | 2.4 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 5.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.9 | 0.1M SODIUM CITRATE PH4.9 24% PEG 4000 |