8SLM
Crystal structure of Deinococcus geothermalis PprI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2016-05-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 120.770, 120.770, 100.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.330 - 2.810 |
R-factor | 0.2489 |
Rwork | 0.247 |
R-free | 0.28420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.401 |
Data reduction software | HKL-2000 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.880 |
High resolution limit [Å] | 2.800 | 12.560 | 2.810 |
Rmerge | 0.041 | 0.023 | 0.541 |
Rmeas | 0.047 | 0.027 | 0.621 |
Number of reflections | 10704 | 118 | 783 |
<I/σ(I)> | 21.44 | ||
Completeness [%] | 96.9 | ||
Redundancy | 4.1 | ||
CC(1/2) | 0.999 | 0.998 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1.7 M (NH4)2SO4, 0.1 M Bis-tris (pH 6.5), and 2.5 mM MnCl2 |