5T3H
bovine trypsin soaked with selenourea for 5 min
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.878, 56.640, 65.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.520 - 1.550 |
R-factor | 0.13431 |
Rwork | 0.132 |
R-free | 0.18341 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.354 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.057 | 1.320 |
Number of reflections | 29719 | |
<I/σ(I)> | 32.3 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.3 | 7.3 |
CC(1/2) | 0.920 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% (w/v) PEG8000, 200 mM ammonium sulfate, 100 mM citrate buffer pH 6.5 |