4CXN
Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-02 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 21 3 |
Unit cell lengths | 79.170, 79.170, 79.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.980 - 1.700 |
R-factor | 0.17462 |
Rwork | 0.173 |
R-free | 0.20918 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mso |
RMSD bond length | 0.030 |
RMSD bond angle | 2.175 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.040 | 0.770 |
Number of reflections | 9334 | |
<I/σ(I)> | 36.1 | 4.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.4 | 20.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.1 M TRIS/HCL PH 8.0, 0.2 M SODIUM CITRATE, 40% V/V MPD, PROTEIN IN 20 MM HCL AT 7 MG/ML |