5W6Z
Crystal structure of the H24W mutant of HsNUDT16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.117, 119.438, 65.777 |
| Unit cell angles | 90.00, 90.69, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.610 |
| R-factor | 0.2131 |
| Rwork | 0.208 |
| R-free | 0.30320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w6x |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.808 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
| Rmerge | 0.124 | 0.071 | 0.261 |
| Rmeas | 0.150 | 0.088 | 0.324 |
| Rpim | 0.083 | 0.050 | 0.189 |
| Total number of observations | 64806 | ||
| Number of reflections | 21134 | ||
| <I/σ(I)> | 8 | ||
| Completeness [%] | 90.1 | 90.2 | 52.4 |
| Redundancy | 3.1 | 2.9 | 2.4 |
| CC(1/2) | 0.992 | 0.919 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9.5 | 293 | PEG 8000, CHES |
