3ZQR
NMePheB25 insulin analogue crystal structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-01-30 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.600, 61.837, 58.224 |
| Unit cell angles | 90.00, 111.19, 90.00 |
Refinement procedure
| Resolution | 54.290 - 1.900 |
| R-factor | 0.22649 |
| Rwork | 0.223 |
| R-free | 0.28143 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ms0 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.838 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.750 |
| Number of reflections | 22062 | |
| <I/σ(I)> | 16.3 | 10 |
| Completeness [%] | 95.3 | 74.7 |
| Redundancy | 3.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 0.6 M NA2SO4, 0.3 M TRIS PH 8.2, 0.6 M ZN(AC)2, 0.06% PHENOL. |
