6MGF

untagged, wild-type LptB in complex with ADP

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	2016-11-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	102.742, 34.767, 62.897
Unit cell angles	90.00, 100.07, 90.00

Refinement procedure

Resolution	61.928 - 2.982
R-factor	0.2048
Rwork	0.201
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b8b
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.930	61.930	3.160
High resolution limit [Å]	2.980	8.950	2.980
Rmerge	0.294	0.072	1.093
Rmeas	0.326	0.081	1.231
Rpim	0.137	0.036	0.553
Total number of observations	23772
Number of reflections	4568	190	672
<I/σ(I)>	6.4
Completeness [%]	98.2	99.7	89.4
Redundancy	5.2	4.8	4.4
CC(1/2)	0.967	0.994	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	296	22% w/v PEG 4000, 100mM MES pH 6.5, 1.3mM novobiocin-adamantyl, 7% DMSO