9KBT
Crystal structure of PHAB8, a peptidoglycan hydrolase with relatively weak thermal stability and broad-spectrum.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 81 |
| Detector technology | CCD |
| Collection date | 2021-11-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.030, 156.980, 47.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.290 - 2.400 |
| R-factor | 0.2395 |
| Rwork | 0.236 |
| R-free | 0.27070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.944 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.290 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmeas | 0.218 | |
| Number of reflections | 11885 | 867 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 99.6 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.996 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 3% w/v Dextran sulfate sodium salt, 0.1 M bicine pH 8.5, 15% w/v Polyethylene glycol 20,000 |
