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)