2IZQ
Gramicidin D complex with KI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.144, 31.319, 51.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 0.800 |
| R-factor | 0.1105 |
| R-free | 0.12160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w5u |
| RMSD bond length | 0.024 |
| RMSD bond angle | 0.053 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 0.830 |
| High resolution limit [Å] | 0.800 | 0.800 |
| Rmerge | 0.020 | 0.200 |
| Number of reflections | 51435 | |
| <I/σ(I)> | 16.7 | 6.19 |
| Completeness [%] | 98.2 | 99.6 |
| Redundancy | 10 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH CRYSTALLIZATION WITH 30 MG/ML GRAMICIDIN AND SATURATED KI IN METHANOL |
