6QQ7
Bovine insulin at ambient pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION SUPERNOVA |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2010-11-09 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | I 21 3 |
Unit cell lengths | 78.767, 78.767, 78.767 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.447 - 1.650 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bn3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.738 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.450 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.320 | |
Number of reflections | 9941 | 489 |
<I/σ(I)> | 17.3 | 1.39 |
Completeness [%] | 100.0 | 100 |
Redundancy | 18.1 | 13.2 |
CC(1/2) | 1.000 | 0.616 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10 | 293 | 0.01 M Na2HPO4, 0.1 M Na2EDTA |