7LKC
Crystal Structure of Keratinimicin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.61992 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 20.720, 32.251, 37.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.970 - 0.950 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.16810 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.846 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.17-3644) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.720 | 20.720 | 0.920 |
| High resolution limit [Å] | 0.900 | 4.930 | 0.900 |
| Rmerge | 0.051 | 0.031 | 1.684 |
| Rmeas | 0.055 | 0.035 | 1.835 |
| Rpim | 0.019 | 0.014 | 0.712 |
| Total number of observations | 157929 | 983 | 5903 |
| Number of reflections | 19493 | 154 | 920 |
| <I/σ(I)> | 15 | 47.2 | 0.9 |
| Completeness [%] | 99.9 | 98.4 | 98.3 |
| Redundancy | 8.1 | 6.4 | 6.4 |
| CC(1/2) | 0.999 | 0.998 | 0.457 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 0.1 M sodium acetate (pH 4.5), 2 M sodium formate, and 10 mM L-proline |
