6R3R
First crystal structure of endo-levanase BT1760 from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.657, 110.607, 171.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 1.650 |
Rwork | 0.154 |
R-free | 0.17100 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc3-3435) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.059 | 0.764 |
Rmeas | 0.067 | 0.857 |
Rpim | 0.029 | 0.376 |
Number of reflections | 87995 | 8685 |
<I/σ(I)> | 16.9 | 2.3 |
Completeness [%] | 99.2 | 99.3 |
Redundancy | 4.9 | 4.9 |
CC(1/2) | 0.999 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 32 mg/ml protein; 16-22% (w/v) PEG 6000, 1 mM ZnCl2, 0.1 M MES-NaOH, pH 6.5; 2:1 ratio |