8P5O
Proline activating adenylation domain of gramicidin S synthetase 2 - GrsB1-Acore
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 195.021, 195.021, 346.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.460 - 2.600 |
R-factor | 0.2238 |
Rwork | 0.223 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.499 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19rc6_4061) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.460 | 2.693 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 77790 | 7694 |
<I/σ(I)> | 12.86 | |
Completeness [%] | 100.0 | |
Redundancy | 10.5 | |
CC(1/2) | 0.999 | 0.434 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 4000, 312mM sodium acetate |