4IUZ
High resolution crystal structure of racemic ester insulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P -1 |
| Unit cell lengths | 20.495, 27.757, 34.765 |
| Unit cell angles | 96.42, 98.60, 104.46 |
Refinement procedure
| Resolution | 33.950 - 1.600 |
| R-factor | 0.2222 |
| Rwork | 0.221 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e7y |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.036 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.048 | 0.487 |
| Number of reflections | 8573 | |
| <I/σ(I)> | 34.5 | 3.5 |
| Completeness [%] | 89.3 | 85.3 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.6 | 292 | 5 mg/mL protein, 0.05 M citric acid, 38% v/v PEG200, pH 3.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
