6IWF

Crystal structure of HitA from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	51.324, 105.195, 59.676
Unit cell angles	90.00, 110.36, 90.00

Refinement procedure

Resolution	41.406 - 1.707
R-factor	0.19963654854
Rwork	0.198
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ivy
RMSD bond length	0.006
RMSD bond angle	0.788
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.410	1.768
High resolution limit [Å]	1.700	1.707
Rmeas	0.043	0.361
Rpim	0.023	0.206
Number of reflections	62932	6025
<I/σ(I)>	17.3
Completeness [%]	97.7
Redundancy	3.4
CC(1/2)	0.980	0.028

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 3350, sodium-cacodylate, magnesium acetate