5XSS
XylFII molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-23 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9798 |
Spacegroup name | P 1 |
Unit cell lengths | 67.541, 68.059, 76.677 |
Unit cell angles | 89.89, 65.15, 87.33 |
Refinement procedure
Resolution | 30.782 - 2.093 |
R-factor | 0.1821 |
Rwork | 0.180 |
R-free | 0.21440 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.322 |
Data reduction software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.121 |
High resolution limit [Å] | 2.093 | 2.093 |
Number of reflections | 70577 | |
<I/σ(I)> | 15.8 | 7.8 |
Completeness [%] | 96.8 | 91.6 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 20% Polyethylene glycol 8000, 0.1 M phosphate-citrate pH 4.2, 0.2 M NaCl |