4Y0Y
Trypsin in complex with with BPTI
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 | 2012-07-03 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.800, 81.490, 124.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.912 - 1.250 |
| R-factor | 0.1387 |
| Rwork | 0.138 |
| R-free | 0.15520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ftl |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.723 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.039 | 0.748 |
| Number of reflections | 104119 | |
| <I/σ(I)> | 18.7 | 1.7 |
| Completeness [%] | 99.4 | 94.8 |
| Redundancy | 4.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 1.8 to 2.2 M ammonium sulfate |
