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. |
