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 |
