6NHS
Crystal Structure of the Beta Lactamase Class D YbXI from Nostoc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 116.502, 116.502, 74.702 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.134 - 2.000 |
| R-factor | 0.1649 |
| Rwork | 0.163 |
| R-free | 0.20150 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.670 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.101 | 0.880 |
| Number of reflections | 20709 | 1000 |
| <I/σ(I)> | 45.5 | 3.9 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 23.3 | 23.8 |
| CC(1/2) | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.05M Bis-Tris pH 6.5, 45%(v/v) PEG400 |
