7NN3
A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Caldicellulosiruptor kristjansonii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.058, 116.901, 160.394 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.621 - 1.889 |
R-factor | 0.167325045858 |
Rwork | 0.167 |
R-free | 0.20676 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ehn |
RMSD bond length | 0.007 |
RMSD bond angle | 0.796 |
Data reduction software | XDS |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.637 | 1.937 |
High resolution limit [Å] | 1.889 | 1.890 |
Rmerge | 0.077 | 0.827 |
Number of reflections | 145210 | 13403 |
<I/σ(I)> | 10.03 | |
Completeness [%] | 97.3 | 90.96 |
Redundancy | 2.8 | 2.2 |
CC(1/2) | 0.997 | 0.443 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M ammonium acetate, 0.1 M bis-tris, and 25% polyethylene glycol 3350. Protein at 51.1 mg/mL. |