2WRX
Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 3.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 39.239, 39.239, 124.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.420 - 1.500 |
| R-factor | 0.18343 |
| Rwork | 0.180 |
| R-free | 0.25053 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mso |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.980 |
| 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] | 30.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.470 |
| Number of reflections | 17552 | |
| <I/σ(I)> | 9.2 | 5.5 |
| Completeness [%] | 94.6 | 60.5 |
| Redundancy | 13.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3 | 0.18 M LI2SO4, 0.1M NA ACETATE PH 3.0 |
