6J32
Crystal Structure Analysis of the Glycotransferase of kitacinnamycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97894 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 242.900, 242.900, 242.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.119 - 2.500 |
| R-factor | 0.2696 |
| Rwork | 0.269 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyf |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 99.160 | 99.160 | 2.550 |
| High resolution limit [Å] | 2.500 | 12.990 | 2.500 |
| Rmerge | 0.083 | 0.033 | 1.027 |
| Rmeas | 0.091 | 0.037 | 1.149 |
| Rpim | 0.038 | 0.017 | 0.505 |
| Total number of observations | 461803 | 3389 | 22396 |
| Number of reflections | 81520 | 618 | 4454 |
| <I/σ(I)> | 10.7 | 25.7 | 1.6 |
| Completeness [%] | 99.6 | 98.1 | 99.9 |
| Redundancy | 5.7 | 5.5 | 5 |
| CC(1/2) | 0.996 | 0.997 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 1.6 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 10% v/v 1,4-Dioxane |
