4NIB
Crystal structure of human insulin mutant B20 D-ala, B23 D-ala
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | I 21 3 |
Unit cell lengths | 78.030, 78.030, 78.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.392 - 1.400 |
R-factor | 0.1433 |
Rwork | 0.141 |
R-free | 0.16300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b2a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.073 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.500 | 1.350 |
High resolution limit [Å] | 1.300 | 1.400 | 1.300 |
Number of reflections | 19350 | ||
<I/σ(I)> | 1.71 | 0.55 | |
Completeness [%] | 99.8 | 100 | 89.1 |
Redundancy | 11.5 | 12.1 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | These insulin crystals were obtained from a co-crystallization experiment with insulin receptor fragment IR310.T. Crystals were formed in the presence of IR310.T as detailed for the IR310.T complex with native human insulin - in Menting et al. 2013, Nature 493:241-245. Crystallant was 0.7 M trisodium citrate, 0.1 M imidazole-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |