5X5X
Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219
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] | 95 |
Detector technology | CCD |
Collection date | 2014-11-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 64.800, 71.472, 96.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.22350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kuz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.539 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmeas | 0.071 | 0.033 | 0.522 |
Rpim | 0.027 | 0.013 | 0.194 |
Number of reflections | 35733 | 3830 | 3462 |
<I/σ(I)> | 12.5 | 47.02 | 4.23 |
Completeness [%] | 98.8 | 99.2 | 97.5 |
Redundancy | 6.8 | 6.5 | 6.8 |
CC(1/2) | 0.999 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.6 M sodium formate, 29% PEG 3350 |