7Q10
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 P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2018-11-11 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 89.004, 103.122, 64.555 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.720 - 1.820 |
R-factor | 0.1966 |
Rwork | 0.195 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7q0q |
RMSD bond length | 0.008 |
RMSD bond angle | 1.012 |
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] | 54.720 | 1.885 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 53217 | 4801 |
<I/σ(I)> | 5.72 | |
Completeness [%] | 98.2 | |
Redundancy | 7.5 | |
CC(1/2) | 0.990 | 0.287 |
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 |