4Y10
Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic 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 | 74.694, 81.854, 123.612 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.124 - 1.370 |
| R-factor | 0.1393 |
| Rwork | 0.138 |
| R-free | 0.16520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.691 |
| 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 | 1.480 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.068 | 0.940 |
| Number of reflections | 79871 | |
| <I/σ(I)> | 19.2 | 2.4 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 8 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 1.8 to 2.2 M ammonium sulfate |
