8I76
Crystal structure of decarboxylated osteocalcin at pH 2.0 without glycerol
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 | 42.105, 42.105, 36.711 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.124 - 1.381 |
R-factor | 0.1958 |
Rwork | 0.195 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.881 |
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] | 42.100 | 1.430 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmeas | 0.042 | 0.525 |
Number of reflections | 13177 | 1247 |
<I/σ(I)> | 22.3 | 3.2 |
Completeness [%] | 99.0 | |
Redundancy | 4.87 | |
CC(1/2) | 0.999 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | ammonium sulfate, HCl |