6HY2
Structure guided design of an antibacterial peptide that targets UDP-N-acetylglucosamine acyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS IV |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-15 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5415 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 96.809, 96.809, 96.809 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.650 - 1.600 |
| R-factor | 0.19843 |
| Rwork | 0.197 |
| R-free | 0.22639 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ILxA |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.091 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.650 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 34668 | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 297.15 | 1.0 M Na/K phosphate, ph 6.3-6.9 |
