7ULC
Crystal structure of queuine salvage enzyme DUF2419 mutant D231N, in complex with queuosine-5'-monophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.254, 106.254, 157.927 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.560 - 1.990 |
| R-factor | 0.1451 |
| Rwork | 0.144 |
| R-free | 0.17150 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7u07 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-3000 (v721.3) |
| Data scaling software | HKL-3000 (v721.3) |
| Phasing software | REFMAC (5.8.0267) |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.990 | 5.400 | 1.990 |
| Rmerge | 0.173 | 0.031 | 3.566 |
| Rmeas | 0.179 | 0.031 | 3.755 |
| Rpim | 0.043 | 0.007 | 1.157 |
| Total number of observations | 1056419 | ||
| Number of reflections | 62834 | 3418 | 3080 |
| <I/σ(I)> | 4.5 | ||
| Completeness [%] | 99.9 | 99.3 | 99.4 |
| Redundancy | 16.8 | 17 | 9.9 |
| CC(1/2) | 0.999 | 0.191 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.1 M Sodium malonate, 0.1 M HEPES, 0.5% (v/v) Jaffamine ED-2001 |
