7ZEH
Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7Guanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.590, 80.890, 83.170 |
| Unit cell angles | 82.22, 72.46, 68.20 |
Refinement procedure
| Resolution | 75.080 - 1.500 |
| R-factor | 0.1893 |
| Rwork | 0.188 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bdu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.237 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.080 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.083 | |
| Rmeas | 0.088 | |
| Rpim | 0.028 | |
| Number of reflections | 218378 | 20240 |
| <I/σ(I)> | 15.43 | 1.6 |
| Completeness [%] | 97.5 | 90.31 |
| Redundancy | 9.8 | 8.5 |
| CC(1/2) | 0.999 | 0.732 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 292.15 | 5 % PEG 400, 1.73 M ammonium sulfate, 0.1 M MES pH 5.6 |
