4K7T
Structure of the ternary complex of bacitracin, zinc, and geranyl-pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 62 |
| Unit cell lengths | 35.980, 35.980, 16.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.005 - 1.100 |
| R-factor | 0.1284 |
| Rwork | 0.127 |
| R-free | 0.14930 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.051 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 12.005 | 20.000 | 1.160 |
| High resolution limit [Å] | 1.100 | 3.240 | 1.100 |
| Rmerge | 0.092 | 0.061 | 0.669 |
| Number of reflections | 4983 | 363 | 1423 |
| <I/σ(I)> | 16.69 | 38.78 | 4.1 |
| Completeness [%] | 99.9 | 99.5 | 99.9 |
| Redundancy | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 6.5 | 291 | 20% PEG-2000 in 0.1 M sodium acetate pH 6.5, microbatch under oil, temperature 291K |
