4COT
The importance of the Abn2 calcium cluster in the endo-1,5- arabinanase activity from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 110 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.190, 76.552, 58.073 |
Unit cell angles | 90.00, 112.60, 90.00 |
Refinement procedure
Resolution | 30.164 - 1.900 |
R-factor | 0.1733 |
Rwork | 0.171 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x8f |
RMSD bond length | 0.005 |
RMSD bond angle | 0.930 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.160 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.290 |
Number of reflections | 31885 | |
<I/σ(I)> | 12.6 | 3.7 |
Completeness [%] | 97.7 | 91.6 |
Redundancy | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | CRYSTALS OF THE H318Q PROTEIN (14 MG/ML) WERE OBTAINED USING THE VAPOUR DIFFUSION METHOD WITH CRYSTALLIZATION CONDITIONS 10 MM NICL2;100 MM TRIS-HCL PH 8.5, AND 20 % PEG 2000 MME. |