8K3B
The Pseudomonas aeruginosa RccR protein complexed with KDPG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-07-12 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 0.97915 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 78.138, 81.624, 137.888 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.010 - 1.900 |
| R-factor | 0.20127 |
| Rwork | 0.199 |
| R-free | 0.24252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.477 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.969 |
| High resolution limit [Å] | 1.900 | 1.901 |
| Rmerge | 0.089 | 0.652 |
| Number of reflections | 26374 | 26374 |
| <I/σ(I)> | 25.4 | |
| Completeness [%] | 75.2 | |
| Redundancy | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.15 M DL-malic acid pH 7.0, 0.1 M imidazole pH 7.0, 22% polyethylene glycol monomethyl ether 550 (v/v) |
