6SJJ
A new modulated crystal structure of ANS complex of St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-12 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.850, 145.850, 385.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.580 - 2.300 |
R-factor | 0.2264 |
Rwork | 0.226 |
R-free | 0.25480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n3e |
RMSD bond length | 0.010 |
RMSD bond angle | 1.837 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.580 | 2.390 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.066 | 0.691 |
Number of reflections | 127324 | 24778 |
<I/σ(I)> | 6.22 | |
Completeness [%] | 99.3 | |
Redundancy | 7.2 | |
CC(1/2) | 0.978 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M HEPES buffer pH 7.5, 1.3 M sodium citrate precipitant pH 6.3, 1:1 protein:reservoir volume ratio |