6NTW

Crystal structure of E. coli YcbB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	P 43 21 2
Unit cell lengths	126.499, 126.499, 88.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.448 - 2.760
R-factor	0.2583
Rwork	0.256
R-free	0.29810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.878
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.448	47.590	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.415	0.043
Rmeas	0.437	0.045
Rpim	0.132	0.014
Total number of observations	619864	6310	1887
Number of reflections	18943	615	1320
<I/σ(I)>	3.2	46.4
Completeness [%]	90.4	99.5	33.6
Redundancy	9.4	10.3	1.4
CC(1/2)	0.995	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298.15	0.2 uL protein solution (30 mg/mL purified protein in 20 mM HEPES pH 8.0, 300 mM NaCl) and 1 uL of mother liquor (1.44 M lithium sulfate, 0.08 M HEPES pH 7.5, 0.02 M sodium acetate pH 4.6, 0.015 M ammonium sulfate, 4% (w/v) polyethylene glycol (PEG) 2000 monomethyl ether (MME)) with the addition of 1 mM meropenem and L-Ala-D-Glu-mDAP-D-Ala at 1 mM