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 |