9KYH
Crystal structure of E.coli ac4C amidohydrolase YqfB in complex with ac4C
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.570, 30.480, 61.610 |
| Unit cell angles | 90.00, 94.19, 90.00 |
Refinement procedure
| Resolution | 27.600 - 1.540 |
| R-factor | 0.1844 |
| Rwork | 0.183 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.904 |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.620 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.102 | 0.787 |
| Rmeas | 0.112 | 0.874 |
| Rpim | 0.046 | 0.372 |
| Number of reflections | 30235 | 4360 |
| <I/σ(I)> | 10.1 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.9 | 5.3 |
| CC(1/2) | 0.997 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350 |
