6LJC
Crystal structure of fragmin F2-F3 domains (calcium and magnesium condition)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AichiSR BEAMLINE BL2S1 |
Synchrotron site | AichiSR |
Beamline | BL2S1 |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2017-11-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12 |
Spacegroup name | P 61 |
Unit cell lengths | 115.590, 115.590, 42.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.090 - 1.850 |
R-factor | 0.1835 |
Rwork | 0.182 |
R-free | 0.20250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ffk |
RMSD bond length | 0.003 |
RMSD bond angle | 0.575 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15-3459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.220 | 42.220 | 1.960 |
High resolution limit [Å] | 1.850 | 5.510 | 1.850 |
Rmerge | 0.069 | 0.020 | 1.094 |
Rmeas | 0.073 | 0.021 | 1.165 |
Number of reflections | 27718 | 1109 | 4450 |
<I/σ(I)> | 22.43 | 79.89 | 1.97 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 8.571 | 8.324 | 8.457 |
CC(1/2) | 1.000 | 1.000 | 0.741 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, ammonium sulphate, calcium chloride, magnesium chloride |