8QJQ
SmNuc1 nuclease from Stenotrophomonas maltophilia in complex with cytidine - 5' - monophosphate as an inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.255, 73.166, 81.660 |
| Unit cell angles | 90.00, 104.99, 90.00 |
Refinement procedure
| Resolution | 41.780 - 1.800 |
| R-factor | 0.1675 |
| Rwork | 0.166 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.408 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.780 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.108 | 1.059 |
| Rmeas | 0.117 | 1.153 |
| Number of reflections | 45358 | 2614 |
| <I/σ(I)> | 14.2 | 1.9 |
| Completeness [%] | 99.4 | 98.9 |
| Redundancy | 6.7 | 6.4 |
| CC(1/2) | 0.995 | 0.699 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.1 M Bis-Tris pH 5.5, 25 % w/v PEG 3350, 0.2 M Lithium sulfate, cryo-protection 25% v/v glycerol, protein concentration 7.5 mg/ml. |
