3KDH
Structure of ligand-free PYL2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.486, 105.483, 187.912 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.820 - 1.653 |
R-factor | 0.1762 |
Rwork | 0.175 |
R-free | 0.20740 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.820 | 1.710 |
High resolution limit [Å] | 1.653 | 1.653 |
Rmerge | 0.041 | 0.211 |
Number of reflections | 73929 | |
<I/σ(I)> | 32.76 | 6.54 |
Completeness [%] | 98.6 | 94.4 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1M sodium citrate tribasic, 100mM Tris, pH8.5, 79mM MEGA-8 (Octanoyl-N-methylglucamide), VAPOR DIFFUSION, HANGING DROP, temperature 291K |