8WKL
Rauvolfia serpentina strictosidine synthase (RsSTR) in complex with a non-reactive tryptamine substitute crystallized in P1211 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2022-12-07 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 88.490, 82.640, 171.840 |
Unit cell angles | 90.00, 98.52, 90.00 |
Refinement procedure
Resolution | 26.429 - 2.670 |
Rwork | 0.196 |
R-free | 0.21770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 0.991 |
Data reduction software | MOSFLM (7.4.0) |
Data scaling software | Aimless (0.7.13) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.429 | 2.730 |
High resolution limit [Å] | 2.670 | 2.670 |
Rmerge | 0.108 | 0.661 |
Rmeas | 0.121 | 0.739 |
Rpim | 0.054 | 0.326 |
Total number of observations | 22196 | |
Number of reflections | 69947 | 4456 |
<I/σ(I)> | 11.2 | 2.5 |
Completeness [%] | 99.9 | |
Redundancy | 4.9 | 5 |
CC(1/2) | 0.996 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Sodium chloride, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350 |