4Y0Z
Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID
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 | CCD |
Collection date | 2013-07-03 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.907, 82.299, 123.352 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.230 - 1.370 |
R-factor | 0.1346 |
Rwork | 0.134 |
R-free | 0.15630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.423 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.450 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.061 | 0.990 |
Number of reflections | 79301 | |
<I/σ(I)> | 16.4 | 1.9 |
Completeness [%] | 98.4 | 95.6 |
Redundancy | 5.9 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 1.8 to 2.2 M ammonium sulfate |