6LJD
Crystal structure of fragmin F2-F3 domains (calcium 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 | 2017-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12 |
Spacegroup name | P 61 |
Unit cell lengths | 115.830, 115.830, 42.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.830 - 2.150 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ffk |
RMSD bond length | 0.005 |
RMSD bond angle | 0.704 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.113 | 42.113 | 2.280 |
High resolution limit [Å] | 2.150 | 6.380 | 2.150 |
Rmerge | 0.097 | 0.031 | 1.045 |
Rmeas | 0.103 | 0.033 | 1.113 |
Number of reflections | 17807 | 736 | 2862 |
<I/σ(I)> | 16.13 | 50.79 | 2.04 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 8.553 | 8.158 | 8.502 |
CC(1/2) | 0.999 | 0.999 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, ammonium sulphate, calcium chloride |