6IH0

Aquifex aeolicus LpxC complex with ACHN-975

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	2018-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979183
Spacegroup name	P 61
Unit cell lengths	65.569, 65.569, 131.595
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.210
R-factor	0.1645
Rwork	0.164
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ier
RMSD bond length	0.006
RMSD bond angle	1.036
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.250
High resolution limit [Å]	1.210	1.210
Rpim	0.020	0.136
Number of reflections	97208	2378
<I/σ(I)>	10
Completeness [%]	99.8
Redundancy	19.6
CC(1/2)	0.997	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	288	PEG 8000, HEPES