7N7C
crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in complex with folinic acid and dTDP-3-aminoquinovose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-11 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.997, 74.039, 82.328 |
Unit cell angles | 90.00, 115.04, 90.00 |
Refinement procedure
Resolution | 29.200 - 2.000 |
R-factor | 0.1843 |
Rwork | 0.182 |
R-free | 0.23170 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7n7a |
RMSD bond length | 0.008 |
RMSD bond angle | 1.528 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 46424 | 6240 |
<I/σ(I)> | 14.2 | 3.4 |
Completeness [%] | 99.1 | 98.1 |
Redundancy | 8.2 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 11-14% PEG-8000, 2% DMSO, 100 mM homopipes (pH 5) Crystals soaked in 26% PEG-8000, 600 mM NaCl, 5 mM folinic acid, 10 mM dTDP-3-aminoquinovose |