8H6U
Class I sesquiterpene synthase BCBOT2 (complex)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-03 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 112.544, 112.544, 253.567 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.270 - 2.780 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8h6q |
RMSD bond length | 0.009 |
RMSD bond angle | 0.980 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.390 | 2.880 |
High resolution limit [Å] | 2.780 | 2.780 |
Rmerge | 0.193 | 0.485 |
Number of reflections | 47729 | 4609 |
<I/σ(I)> | 11.5 | |
Completeness [%] | 100.0 | |
Redundancy | 19.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 18% w/v PEG 3350, 200 mM sodium thiocyanate |