4PMZ
Crystal structure of GH10 endo-b-1,4-xylanase (XynB) from Xanthomonas axonopodis pv citri complexed with xylobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.45 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.056, 49.238, 83.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.350 - 1.401 |
R-factor | 0.1761 |
Rwork | 0.174 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pmx |
RMSD bond length | 0.005 |
RMSD bond angle | 0.999 |
Data reduction software | XDS |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.400 | 1.490 | |
High resolution limit [Å] | 1.400 | 4.180 | 1.400 |
Rmerge | 0.054 | 0.016 | 0.540 |
Rmeas | 0.072 | 0.022 | 0.730 |
Total number of observations | 438738 | ||
Number of reflections | 206127 | 8256 | 33147 |
<I/σ(I)> | 10.86 | 42.65 | 1.66 |
Completeness [%] | 91.9 | 98.1 | 91.4 |
Redundancy | 2.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Polyethylene glycol 8,000 |