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 |