4XUP
Structure of the N-terminal CBM22-1-CBM22-2 tandem domain from Paenibacillus barcinonensis Xyn10C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979235 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.170, 110.359, 118.522 |
Unit cell angles | 90.00, 90.63, 90.00 |
Refinement procedure
Resolution | 118.520 - 2.430 |
R-factor | 0.22879 |
Rwork | 0.227 |
R-free | 0.26495 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1DYO and 2w5f |
RMSD bond length | 0.013 |
RMSD bond angle | 1.535 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 118.520 | 2.480 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.130 | 0.800 |
Total number of observations | 510618 | |
Number of reflections | 81116 | |
<I/σ(I)> | 8.6 | 2.2 |
Completeness [%] | 99.4 | 99.3 |
Redundancy | 6.3 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 23% PEG 3350, 0.2 M Calcium chloride, 0.1 M Bis Tris propane pH 5.5 Additive: 2% 1,6-Hexanediol Ratio (protein/precipitant/additive): 0.5/2/0.3 with streak seeding starting from spherulites. |