6J31
Crystal Structure Analysis of the Glycotransferase of kitacinnamycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-26 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97930 |
Spacegroup name | I 2 3 |
Unit cell lengths | 243.160, 243.160, 243.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.446 - 2.244 |
R-factor | 0.2268 |
Rwork | 0.226 |
R-free | 0.24850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iyf |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.450 | 39.450 | 2.280 |
High resolution limit [Å] | 2.240 | 12.290 | 2.240 |
Rmerge | 0.265 | 0.066 | 1.972 |
Rmeas | 0.272 | 0.068 | 2.024 |
Rpim | 0.062 | 0.016 | 0.454 |
Total number of observations | 2156843 | ||
Number of reflections | 113347 | 728 | 5629 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 100.0 | 97.2 | 100 |
Redundancy | 19 | 18.9 | 19.8 |
CC(1/2) | 0.998 | 0.999 | 0.179 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 1.6 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 10% v/v 1,4-Dioxane |