2BN1
Insulin after a high dose x-ray burn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-18 |
| Detector | ADSC CCD |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 77.900, 77.900, 77.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.400 |
| R-factor | 0.133 |
| Rwork | 0.131 |
| R-free | 0.16500 |
| Structure solution method | OTHER |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.720 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.330 |
| Number of reflections | 24081 | |
| <I/σ(I)> | 18.99 | 4.12 |
| Completeness [%] | 97.9 | 95.9 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | .4 M NAPO4/NA2HPO4 PH10.4, 0.001M EDTA, 30% ETHYLENE GLYCOL |
