7BN9

Crystal Structure of Bacillus subtilis Penicillin Binding Protein 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	54.624, 108.684, 238.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.460 - 2.650
R-factor	0.2159
Rwork	0.213
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vqq 3equ
RMSD bond length	0.003
RMSD bond angle	0.696
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.460	9.920
High resolution limit [Å]	2.650	2.650
Number of reflections	42319	4375
<I/σ(I)>	12.7	2.1
Completeness [%]	100.0	100
Redundancy	7.4	7.5
CC(1/2)	0.998	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	100 mM HEPES, pH 7.0, 20 % (w/v) PEG 6000, 200 mM NaCl