3ZU1
Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-10 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 79.060, 79.060, 41.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.880 - 1.600 |
| R-factor | 0.17 |
| Rwork | 0.165 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ev3 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.947 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.650 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.450 |
| Number of reflections | 22850 | |
| <I/σ(I)> | 11.3 | 1.7 |
| Completeness [%] | 90.5 | 84.8 |
| Redundancy | 2.07 | 1.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100MM HEPES, 300MM NA-CITRATE, 24% 2-PROPANOL PH 7.5 |
