8IS4
Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU
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 | 2022-08-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.388, 107.986, 120.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.670 - 1.900 |
| R-factor | 0.1564 |
| Rwork | 0.155 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.007 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.144 | 1.044 |
| Rmeas | 0.150 | 1.086 |
| Rpim | 0.041 | 0.298 |
| Number of reflections | 71085 | 10243 |
| <I/σ(I)> | 13.8 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13.2 |
| CC(1/2) | 0.998 | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M Bis-Tris, pH 6.5, 25% w/v Polyethylene glycol 3,350 |
