4JJ6
Crystal structure of a catalytic mutant of Axe2 (Axe2-H194A), an acetylxylan esterase from Geobacillus stearothermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.954 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 110.032, 110.032, 213.135 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.860 - 1.800 |
R-factor | 0.1511 |
Rwork | 0.149 |
R-free | 0.18610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.057 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.7.0029) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.860 | 1.846 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 60764 | |
Completeness [%] | 99.9 | 99.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.0-1.4 M K/Na tartrate, 0.3 M NaCl, 0.1 M imidazole buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |