2E1N
Crystal structure of the Cyanobacterium circadian clock modifier Pex
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97931, 0.97820, 0.96408, 0.98319 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.153, 61.539, 75.676 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.200 - 1.800 |
R-factor | 0.19789 |
Rwork | 0.196 |
R-free | 0.23600 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.461 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.200 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.058 | 0.424 |
Number of reflections | 24505 | |
Completeness [%] | 98.2 | 85.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 0.5-1.0M Li2SO4, 0.1M sodium acetate buffer (pH 3.8~4.6), 50mM magnesium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 0.5-1.0M Li2SO4, 0.1M sodium acetate buffer (pH 3.8~4.6), 50mM magnesium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 0.5-1.0M Li2SO4, 0.1M sodium acetate buffer (pH 3.8~4.6), 50mM magnesium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |