8CIB

Structural and functional analysis of the Pseudomonas aeruginosa PA1677 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	85.284, 245.260, 126.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	122.630 - 1.780
R-factor	0.1759
Rwork	0.174
R-free	0.20836
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.586
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (8.0.005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	122.630	1.880
High resolution limit [Å]	1.780	1.780
Rmerge	0.263	1.302
Rmeas	0.285	1.462
Rpim	0.107	0.643
Total number of observations	845570	58756
Number of reflections	120918	13457
<I/σ(I)>	6.7	1.3
Completeness [%]	96.2
Redundancy	7	4.4
CC(1/2)	0.989	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Sodium HEPES; MOPS (acid) 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350 0.2M DL-Glutamic acid monohydrate; 0.2M DL Alanine; 0.2M Glycine; 0.2M DL-Lysine monohydrochloride; 0.2M DL-Serine