2WS0
Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-17 |
| Detector | ADSC CCD |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 39.444, 39.444, 124.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.100 |
| R-factor | 0.24647 |
| Rwork | 0.242 |
| R-free | 0.33693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mso |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.837 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0082) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.060 | 0.330 |
| Number of reflections | 3155 | |
| <I/σ(I)> | 16.7 | 10 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 12.2 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.75 DILUTION IN WATER OF STOCK OF 0.1 M NA CITRATE,0.3M TRIS PH 7.5,0.6 MM ZN ACETATE, 0.06% PHENOL |
