7BAE
Crystal structure of PAFB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-21 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.98013 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 62.124, 36.953, 24.878 |
Unit cell angles | 90.00, 103.84, 90.00 |
Refinement procedure
Resolution | 31.500 - 1.200 |
R-factor | 0.2123 |
Rwork | 0.211 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6haj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | Aimless |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.510 | 1.200 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 16905 | 799 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 98.3 | |
Redundancy | 6.7 | |
CC(1/2) | 0.997 | 0.712 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293.15 | 0.7 mM Palmitic acid, 0.1 M Potassium phosphate citrate pH 4.2, 40 % PEG 300 |