3ZS2
TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure
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 | 2006-12-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.660, 62.170, 46.678 |
| Unit cell angles | 90.00, 111.32, 90.00 |
Refinement procedure
| Resolution | 53.680 - 1.970 |
| R-factor | 0.19588 |
| Rwork | 0.193 |
| R-free | 0.25211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ms0 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.938 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.110 | 0.620 |
| Number of reflections | 18615 | |
| <I/σ(I)> | 13.5 | 8.5 |
| Completeness [%] | 90.2 | 61.7 |
| Redundancy | 2.3 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 0.1 M NACITRATE, 0.3 M TRIS PH 8.2, 0.6 MM ZN(AC)2, 0.06% PHENOL |
