2WRU
Semi-synthetic highly active analogue of human insulin NMeAlaB26-DTI- NH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-03 |
Detector | ADSC CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 38.721, 38.721, 123.148 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.940 - 1.570 |
R-factor | 0.18207 |
Rwork | 0.179 |
R-free | 0.25474 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mso |
RMSD bond length | 0.022 |
RMSD bond angle | 1.744 |
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] | 50.000 | 1.630 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.060 | 0.160 |
Number of reflections | 7028 | |
<I/σ(I)> | 23 | 11 |
Completeness [%] | 95.0 | 61.6 |
Redundancy | 10.6 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3 | 0.32 M NA2SO4, PH 3.0 |