7QYR

Crystal structure of RimK from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	66.898, 153.586, 138.539
Unit cell angles	90.00, 102.39, 90.00

Refinement procedure

Resolution	44.450 - 2.400
R-factor	0.2126
Rwork	0.212
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iwx
RMSD bond length	0.006
RMSD bond angle	1.327
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.100	45.100	2.440
High resolution limit [Å]	2.400	13.150	2.400
Rmerge	0.108	0.036	2.049
Rmeas	0.116	0.040	2.219
Rpim	0.044	0.016	0.845
Total number of observations		3857	35144
Number of reflections	105678	653	5171
<I/σ(I)>	10.9	40.7	0.9
Completeness [%]	99.3	96.2	98.8
Redundancy	6.9	5.9	6.8
CC(1/2)	0.999	0.998	0.438

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	NULL