4BL2

Crystal structure of PBP2a clinical mutant E150K from MRSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	81.437, 101.637, 186.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 2.720
R-factor	0.2123
Rwork	0.207
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vqq
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.890	2.870
High resolution limit [Å]	2.720	2.720
Rmerge	0.130	0.400
Number of reflections	42164
<I/σ(I)>	16.1	7.5
Completeness [%]	99.2	96.6
Redundancy	14.1	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7