8F7I
The condensation domain of surfactin A synthetase C variant 18b in space group P43212
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 75.975, 75.975, 230.026 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.070 - 1.580 |
R-factor | 0.2054 |
Rwork | 0.205 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.678 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.610 |
High resolution limit [Å] | 1.580 | 1.580 |
Number of reflections | 93097 | 8747 |
<I/σ(I)> | 1.3 | |
Completeness [%] | 99.9 | |
Redundancy | 13 | |
CC(1/2) | 0.999 | 0.709 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5, 14.4% (wt/v) PEG 8K and 20% (v/v) glycerol |