9DQN
Nan Regulatory Protein (NanR) - DNA complex from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953739 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 57.893, 159.393, 171.751 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.990 |
| R-factor | 0.2145 |
| Rwork | 0.212 |
| R-free | 0.25980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.562 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 3.130 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Number of reflections | 30263 | 4821 |
| <I/σ(I)> | 7.9 | 0.8 |
| Completeness [%] | 92.0 | 99.8 |
| Redundancy | 4.9 | 5.1 |
| CC(1/2) | 0.998 | 0.250 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | SG1 E3 condition: 0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES 7.5, 30 % v/v PEG 400 |
