8DI0
Bfo2290: Tannerella forsythia chondroitin sulfate A sulfatase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-20 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.98011 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 113.180, 121.110, 144.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.320 - 2.850 |
R-factor | 0.2251 |
Rwork | 0.222 |
R-free | 0.28050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6j66 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.719 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.320 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rpim | 0.057 | 0.528 |
Number of reflections | 47086 | 6774 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 99.9 | |
Redundancy | 13.4 | |
CC(1/2) | 0.997 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 294 | 100 mM sodium citrate pH 5.6, 0.5 M ammonium sulfate, and 1 M lithium sulfate |