8I75
Crystal structure of decarboxylated osteocalcin at pH 2.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
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 | 2017-12-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 41 |
Unit cell lengths | 42.237, 42.237, 36.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.208 - 1.330 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.777 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.210 | 1.380 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmeas | 0.039 | 0.572 |
Number of reflections | 72423 | 1437 |
<I/σ(I)> | 22.9 | 2.9 |
Completeness [%] | 98.8 | |
Redundancy | 4.85 | |
CC(1/2) | 0.999 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium sulfate, HCl |