3ZQ8
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A monovaccenin LIPID CUBIC PHASE
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 | 2009-10-04 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 23.960, 41.981, 32.429 |
| Unit cell angles | 90.00, 107.25, 90.00 |
Refinement procedure
| Resolution | 22.880 - 1.700 |
| R-factor | 0.16823 |
| Rwork | 0.166 |
| R-free | 0.21118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xdc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.828 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.900 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.250 |
| Number of reflections | 6612 | |
| <I/σ(I)> | 23 | 5 |
| Completeness [%] | 96.9 | 78.9 |
| Redundancy | 4.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8.5 | 1M LITHIUM SULFATE, 10 MM NICKEL CHLORIDE, 0.1 M TRIS HCL, PH 8.5, LIPIDIC CUBIC PHASE OF MONOVACCENIN (11.7 MAG) |
