2WS7
Semi-synthetic analogue of human insulin ProB26-DTI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-04 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 62.451, 66.511, 57.297 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.260 - 2.590 |
R-factor | 0.21386 |
Rwork | 0.209 |
R-free | 0.33160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mso |
RMSD bond length | 0.013 |
RMSD bond angle | 1.475 |
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 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.060 | 0.150 |
Number of reflections | 7871 | |
<I/σ(I)> | 14.7 | 10.5 |
Completeness [%] | 96.6 | 78.1 |
Redundancy | 3.3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 5 MM ZN ACETATE,35 MM NA CITRATE,0.7% PHENOL,).7M NACL,0.3M TRIS PH 7.5 |