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 |
