6M10

Crystal structure of PA4853 (Fis) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9788
Spacegroup name	C 2 2 21
Unit cell lengths	44.490, 194.006, 92.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.502 - 2.985
R-factor	0.2649
Rwork	0.261
R-free	0.29860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f36
RMSD bond length	0.006
RMSD bond angle	0.998
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	3.050
High resolution limit [Å]	2.985	3.000
Rmerge	0.193	0.842
Rmeas	0.202	0.890
Rpim	0.060	0.279
Number of reflections	8292	346
<I/σ(I)>	13.23	1.46
Completeness [%]	97.6	84.4
Redundancy	11.1
CC(1/2)	0.993	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M Na-HEPES (pH7.5), 20% PEG MME 2000