8F7G
The condensation domain of surfactin A synthetase C in space group P212121
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.759, 82.974, 86.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.900 - 2.400 |
R-factor | 0.2209 |
Rwork | 0.219 |
R-free | 0.26520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.488 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmeas | 0.144 | 0.560 |
Rpim | 0.043 | 0.288 |
Number of reflections | 21197 | 782 |
<I/σ(I)> | 13.3 | 1.8 |
Completeness [%] | 94.2 | |
Redundancy | 8.9 | |
CC(1/2) | 0.993 | 0.784 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.04 M KH2PO4, 16 %w/v PEG 8K and 20% (v/v) glycerol |