6ZI8
X-ray diffraction structure of bovine insulin at 2.3 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979855 |
Spacegroup name | H 3 |
Unit cell lengths | 81.280, 81.280, 33.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.200 - 2.300 |
R-factor | 0.1661 |
Rwork | 0.162 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a3g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.174 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.200 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.095 | 0.282 |
Rmeas | 0.107 | 0.347 |
Number of reflections | 3613 | 239 |
<I/σ(I)> | 11.81 | |
Completeness [%] | 99.3 | 93.7 |
Redundancy | 4.67 | 2.76 |
CC(1/2) | 0.993 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.5 | 293 | 50mM MES pH 6.5, 10mM ZnCl2, 10mM NaCl in double-distilled water |