4CJN

Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	81.050, 103.773, 186.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.876 - 1.947
R-factor	0.2009
Rwork	0.199
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zg0
RMSD bond length	0.008
RMSD bond angle	1.074
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.960	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.090
Number of reflections	115623
<I/σ(I)>	19.5	1.9
Completeness [%]	100.0	100
Redundancy	25.6	18.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		PH 7