6SUX
Terahertz irradiated structure of bovine trypsin (even frames of crystal x37)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.8856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.510, 57.070, 65.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.080 - 1.160 |
Rwork | 0.127 |
R-free | 0.16530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 418G |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.080 | 43.080 | 1.190 |
High resolution limit [Å] | 1.160 | 5.170 | 1.160 |
Rmerge | 0.067 | 0.030 | 0.370 |
Rmeas | 0.081 | 0.035 | 0.501 |
Number of reflections | 127842 | 1453 | 3939 |
<I/σ(I)> | 9.51 | 29.97 | 1.46 |
Completeness [%] | 93.8 | 95.3 | 38.9 |
Redundancy | 3.03 | 3.353 | 1.532 |
CC(1/2) | 0.998 | 0.998 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | HEPES, CaCl2, benzamidine, PEG 8000, (NH4)2SO4, |