5BN1
Structure of Axe2-W215I, an acetyl xylan 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 | 2014-02-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 108.880, 108.880, 216.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.600 |
R-factor | 0.14511 |
Rwork | 0.144 |
R-free | 0.16577 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w7v |
RMSD bond length | 0.028 |
RMSD bond angle | 2.670 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.079 | 0.561 |
Number of reflections | 85395 | |
<I/σ(I)> | 16.7 | 3.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.1 | 11.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 1.2 M K tartrate, 0.3 M NaCl, 0.1 M imidazole buffer pH 7.2 |