9LNJ
Crystal structure of VANC21 in complex with its target DNA (5-bromouridine substituted).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.350, 77.160, 59.000 |
| Unit cell angles | 90.00, 93.30, 90.00 |
Refinement procedure
| Resolution | 40.260 - 2.000 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.20820 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.132 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.820 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.535 | |
| Rmeas | 0.541 | 28.131 |
| Rpim | 0.077 | 4.158 |
| Number of reflections | 31782 | 3170 |
| <I/σ(I)> | 13.1 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 48.59 | 45.06 |
| CC(1/2) | 0.999 | 0.771 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 12% PEG 6000, 100mM Hepes-KOH, pH 7.0 |
