3ZG5

Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	80.540, 102.020, 185.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.126 - 2.550
R-factor	0.2175
Rwork	0.214
R-free	0.29040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vqq
RMSD bond length	0.009
RMSD bond angle	1.477
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.110	0.500
Number of reflections	47511
<I/σ(I)>	9.9	2.4
Completeness [%]	94.3	94.3
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7