8DHE
Tannerella forsythia beta-glucuronidase (mL1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03318 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 100.442, 139.647, 109.821 |
Unit cell angles | 90.00, 94.50, 90.00 |
Refinement procedure
Resolution | 51.710 - 2.200 |
R-factor | 0.2055 |
Rwork | 0.205 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cmg |
Data reduction software | XDS (20200131) |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 109.480 | 109.480 | 2.240 |
High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
Rmerge | 0.096 | 0.016 | 0.662 |
Rmeas | 0.129 | 0.022 | 0.900 |
Rpim | 0.087 | 0.015 | 0.606 |
Total number of observations | 288354 | 1786 | 13608 |
Number of reflections | 147811 | 948 | 7206 |
<I/σ(I)> | 4.6 | 18.1 | 0.8 |
Completeness [%] | 96.9 | 96.8 | 95.8 |
Redundancy | 2 | 1.9 | 1.9 |
CC(1/2) | 0.993 | 0.999 | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 6% (w/v) PEG8000, 12% (v/v) ethylene glycol, 5% (v/v) glycerol, 0.1 M Tris-HCl |