4PMU
Crystal structure of a novel reducing-end xylose-releasing exo-oligoxylanase (XynA) belonging to GH10 family (space group P1211)
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 | 2013-11-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.45 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.022, 100.741, 134.199 |
Unit cell angles | 90.00, 95.15, 90.00 |
Refinement procedure
Resolution | 41.150 - 2.857 |
R-factor | 0.2133 |
Rwork | 0.211 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cnc |
RMSD bond length | 0.005 |
RMSD bond angle | 0.944 |
Data reduction software | HKL-2000 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.920 |
High resolution limit [Å] | 2.857 | 7.780 | 2.857 |
Rmerge | 0.150 | 0.058 | 0.610 |
Total number of observations | 152136 | ||
Number of reflections | 52305 | ||
<I/σ(I)> | 5.8 | ||
Completeness [%] | 97.7 | 96.8 | 95.9 |
Redundancy | 2.9 | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Polyethylene glycol 6000 |