7OC6
Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979100 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 115.248, 59.117, 80.758 |
Unit cell angles | 90.00, 131.52, 90.00 |
Refinement procedure
Resolution | 57.490 - 2.010 |
R-factor | 0.1661 |
Rwork | 0.165 |
R-free | 0.19520 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | AutoSol |
Refinement software | PHENIX (1.19rc5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.490 | 57.490 | 2.120 |
High resolution limit [Å] | 2.010 | 6.360 | 2.010 |
Rmerge | 0.135 | 0.084 | 0.891 |
Rmeas | 0.140 | 0.087 | 0.930 |
Rpim | 0.039 | 0.024 | 0.262 |
Total number of observations | 353822 | 10855 | 48765 |
Number of reflections | 27249 | 911 | 3958 |
<I/σ(I)> | 15.1 | 44.1 | 2.7 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 13 | 11.9 | 12.3 |
CC(1/2) | 0.998 | 0.998 | 0.907 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 25 % (w/v) PEG 6000, 162 mM lithium acetate, 300 mM ammonium sulfate, 5 % (v/v) glycerol, 0.1 M BIS-TRIS, Cryo: 10 % (v/v) (R,R)-2,3-butanediol |