8DOF

Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-09-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 42 2 2
Unit cell lengths	76.210, 76.210, 132.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.250 - 2.600
R-factor	0.1926
Rwork	0.188
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x9n
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.250	2.670
High resolution limit [Å]	2.600	2.600
Number of reflections	12656	910
<I/σ(I)>	14.96
Completeness [%]	99.8
Redundancy	11.75
CC(1/2)	0.994	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Morpheus II - A5; 30mM Lithium sulfate, 30mM Sodium sulfate, 30mM Potassium sulfate, 100mM 7.5 BES, Triethanolamine (TEA), 15% w/v PEG 3000, 20% v/v 1, 2, 4-Butanetriol, 1% w/v NDSB 256, 2mMcompound