7Q1D
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2018-10-23 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 90.957, 100.489, 131.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.150 - 1.430 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.20040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7q0q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.333 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.950 | 1.480 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Number of reflections | 219293 | 21854 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 98.5 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.999 | 0.385 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 7-14% PEG 10,000, 0.1 M Na Acetate, 0.1 M Bis-Tris pH 5.5 |
