6CC4

Structure of MurJ from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	80
Detector technology	CCD
Collection date	2015-03-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	113.954, 118.036, 128.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.715 - 3.500
R-factor	0.281
Rwork	0.280
R-free	0.30130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t77
RMSD bond length	0.003
RMSD bond angle	0.740
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MR-Rosetta
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.580
High resolution limit [Å]	3.500	3.500
Rmerge	0.342	1.540
Rmeas	0.415	1.926
Rpim	0.229	1.131
Number of reflections	10739	718
<I/σ(I)>	3.57	0.66
Completeness [%]	95.5	95
Redundancy	2.7	2.4
CC(1/2)	0.953	0.211

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	100 mM MES, pH 6.0, 100 mM potassium phosphate dibasic, 28% PEG300, 1% 1,2,3-heptanetriol, lipid stock used for reconstitution was 10:1 w/w monoolein:cholesterol