5HL9

E. coli PBP1b in complex with acyl-ampicillin and moenomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-23
Detector	RAYONIX MX300HE
Wavelength(s)	1.00
Spacegroup name	P 2 21 21
Unit cell lengths	62.440, 63.800, 299.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.340 - 2.700
R-factor	0.2415
Rwork	0.240
R-free	0.26500
RMSD bond length	0.009
RMSD bond angle	1.140
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.800	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.098	0.604
Number of reflections	33979
<I/σ(I)>	10.4
Completeness [%]	99.9
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Drops contained 1uL of protein solution (20mg/mL protein, 100uM moenomycin and 2mM ampicillin) mixed with an equal volume of precipitant (20% w/v PEG 3350, 0.2M potassium/sodium tartate, 0.1M Bis Tris pH 8.5).