6JIQ
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | I 41 |
Unit cell lengths | 66.563, 66.563, 42.054 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.282 - 1.670 |
R-factor | 0.2003 |
Rwork | 0.200 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3obh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.820 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.670 | 3.600 | 1.670 |
Rmerge | 0.051 | 0.040 | 0.467 |
Rmeas | 0.055 | 0.043 | 0.515 |
Rpim | 0.022 | 0.017 | 0.213 |
Number of reflections | 10786 | 1121 | 1041 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 99.4 | 99.8 | 96 |
Redundancy | 6.4 | 6.5 | 5.4 |
CC(1/2) | 0.998 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 3.4 | 289 | PEG 3350 |