7CCD
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-09-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.940, 48.940, 56.190 |
| Unit cell angles | 107.04, 109.79, 97.26 |
Refinement procedure
| Resolution | 28.626 - 2.420 |
| R-factor | 0.2037 |
| Rwork | 0.201 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zmo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.034 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA (0.5.29) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.630 | 28.630 | 2.510 |
| High resolution limit [Å] | 2.420 | 9.050 | 2.420 |
| Rmerge | 0.086 | 0.034 | 0.628 |
| Rmeas | 0.101 | 0.040 | 0.740 |
| Rpim | 0.053 | 0.021 | 0.389 |
| Total number of observations | 46693 | 1029 | 5138 |
| Number of reflections | 13319 | 288 | 1471 |
| <I/σ(I)> | 10.2 | 27.6 | 2.1 |
| Completeness [%] | 80.2 | 92 | 85 |
| Redundancy | 3.5 | 3.6 | 3.5 |
| CC(1/2) | 0.996 | 0.998 | 0.685 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | Ammonium acetate, BIS-TRIS pH5.5, PEG 3350 |
