7XSY
Ligand free structure of branching enzyme isoform 3 (BE3) from Crocosphaera subtropica ATCC 51142
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-13 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 148.050, 149.910, 162.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.060 - 2.500 |
| R-factor | 0.19994 |
| Rwork | 0.197 |
| R-free | 0.26084 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gqu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.523 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.310 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.075 | 0.351 |
| Number of reflections | 124975 | 18092 |
| <I/σ(I)> | 6.8 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.1 M HEPES , 0.3 M Potassium sodium tartrate, 0.2 M Magnesium chloride |
