3KST
Crystal structure of Endo-1,4-beta-xylanase (NP_811807.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.70 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-19 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.89841,0.97915,0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.019, 90.337, 60.037 |
Unit cell angles | 90.00, 93.82, 90.00 |
Refinement procedure
Resolution | 28.421 - 1.700 |
R-factor | 0.147 |
Rwork | 0.145 |
R-free | 0.17900 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.746 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.421 | 28.421 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.060 | 0.021 | 0.370 |
Number of reflections | 63151 | 10767 | 10464 |
<I/σ(I)> | 9.07 | 25.4 | 2.2 |
Completeness [%] | 78.3 | 77.4 | 76.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | 0.2000M CaAcetate, 20.0000% PEG-3350, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |