5ZKL
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT12
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 | 2016-11-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | I 41 |
| Unit cell lengths | 66.319, 66.319, 39.083 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.626 - 1.951 |
| R-factor | 0.1843 |
| Rwork | 0.181 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3obh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.785 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.047 | 0.040 | 0.281 |
| Rmeas | 0.051 | 0.044 | 0.312 |
| Rpim | 0.021 | 0.018 | 0.132 |
| Total number of observations | 36034 | ||
| Number of reflections | 6092 | 657 | 525 |
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 97.0 | 100 | 84.3 |
| Redundancy | 5.9 | 6 | 4.9 |
| CC(1/2) | 0.998 | 0.962 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 3.4 | 289 | PEG 3350 |
