5V51
Crystal Structure of MpPR-1i Soaked with Selenourea for 10 min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.412, 81.905, 130.238 |
| Unit cell angles | 90.00, 111.64, 90.00 |
Refinement procedure
| Resolution | 45.070 - 2.920 |
| R-factor | 0.18922 |
| Rwork | 0.187 |
| R-free | 0.22835 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.343 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.117 | 1.122 |
| Rpim | 0.046 | 0.471 |
| Number of reflections | 46260 | 4495 |
| <I/σ(I)> | 15.8 | 1.4 |
| Completeness [%] | 99.6 | 96.8 |
| Redundancy | 7.4 | 6.2 |
| CC(1/2) | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.8 M sodium formate, 70 mM Bis-Tris prooane pH7.0, 21 mM zinc acetate |
