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 |