5ZKM
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA TCTTCC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 41 |
| Unit cell lengths | 66.096, 66.096, 43.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.048 - 1.650 |
| R-factor | 0.1814 |
| Rwork | 0.179 |
| R-free | 0.20390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3obh |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.731 |
| 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 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.070 | 0.051 | 0.348 |
| Rmeas | 0.077 | 0.057 | 0.388 |
| Rpim | 0.030 | 0.023 | 0.167 |
| Total number of observations | 73217 | ||
| Number of reflections | 11101 | 1172 | 908 |
| <I/σ(I)> | 11 | ||
| Completeness [%] | 97.2 | 98.9 | 80.4 |
| Redundancy | 6.6 | 6.4 | 4.5 |
| CC(1/2) | 0.996 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.8 | 289 | PEG 3350 |
