6ZC1

Crystal structure of RahU protein from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	88.137, 47.939, 40.649
Unit cell angles	90.00, 110.28, 90.00

Refinement procedure

Resolution	30.870 - 1.270
R-factor	0.1595
Rwork	0.159
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oeb
RMSD bond length	0.004
RMSD bond angle	0.733
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	XSCALE (Jan 26, 2018)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.870	30.870	1.340
High resolution limit [Å]	1.270	3.790	1.270
Rmerge	0.096	0.071	0.589
Rmeas	0.104	0.077	0.658
Total number of observations	255698
Number of reflections	39465	1642	5085
<I/σ(I)>	11.8	25.24	2.47
Completeness [%]	93.6	99.2	75.1
Redundancy	6.479	6.695	4.987
CC(1/2)	0.996	0.993	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	di-Sodium tartrate, PEG 3350