6LZX
Structure of Phytolacca americana UGT3 with 15-crown-5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.173, 103.298, 110.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.726 - 3.101 |
Rwork | 0.203 |
R-free | 0.25980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pq6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.518 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.730 | 3.310 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.160 | 0.720 |
Rmeas | 0.170 | 0.780 |
Rpim | 0.070 | 0.290 |
Number of reflections | 19856 | 3497 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 99.6 | 99 |
Redundancy | 6.5 | 6.9 |
CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Sodium Bromide 20% w/v PEG 3350 |