8B1V
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.888, 79.624, 130.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.810 - 1.882 |
R-factor | 0.2029 |
Rwork | 0.202 |
R-free | 0.22240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fi3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.778 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19rc6_4061) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.810 | 1.949 |
High resolution limit [Å] | 1.882 | 1.882 |
Number of reflections | 62174 | 5895 |
<I/σ(I)> | 14.05 | |
Completeness [%] | 99.5 | |
Redundancy | 13 | |
CC(1/2) | 0.999 | 0.463 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 17% w/v PEG 3350, 200 mM ammonium chloride and 0.75 mM angryline |