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 |