8GSG
T3R3 form of Human insulin with single Zn
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-11-23 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 80.018, 80.018, 36.229 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.530 - 2.050 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.20470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1trz |
RMSD bond length | 0.004 |
RMSD bond angle | 0.690 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AutoSol |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.530 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.044 | 0.170 |
Rmeas | 0.049 | |
Rpim | 0.021 | |
Number of reflections | 5407 | 519 |
<I/σ(I)> | 28.04 | 9.33 |
Completeness [%] | 99.6 | 97.38 |
Redundancy | 5.2 | 5.1 |
CC(1/2) | 0.999 | 0.982 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 0.1 M HEPES pH7.5,10% (v/v) PEG 6000, 5% (v/v) MPD |