5WLY

E. coli LpxH- 8 mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 2 21
Unit cell lengths	57.012, 62.064, 66.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.230 - 2.000
R-factor	0.1998
Rwork	0.198
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b4a
Data reduction software	XDS (vOct 15, 2015)
Data scaling software	Aimless (v0.5.21)
Phasing software	PHENIX (v1.11.1_2575)
Refinement software	PHENIX (v1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.050	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.179	1.973
Rpim	0.078	0.867
Number of reflections	16046	1090
<I/σ(I)>	7.7	0.8
Completeness [%]	98.6	91
Redundancy	6	5.9
CC(1/2)	0.994	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	292	7.1 g/L protein in 0.25 M NaCl, 10 mM Tris-HCl pH 7.4, 2.5 mM DTT, 1.25 mM MnCl2, and 20 mM reduced glutathione was combined 2:1 (protein to well solution) with 0.1 M Tris-HCl pH 8.2, 80 mM magnesium formate, and 5% 2-propanol