8F3H

Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion variant apo form from Enterococcus faecium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	193.917, 193.917, 154.813
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.700 - 2.600
R-factor	0.1955
Rwork	0.194
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.479
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	2.680
High resolution limit [Å]	2.600	2.600
Rmerge	0.113	1.823
Rmeas	0.122	1.904
Rpim	0.041	0.532
Total number of observations	685252	58801
Number of reflections	53112	4513
<I/σ(I)>	18.9	1.5
Completeness [%]	99.9
Redundancy	12.9	13
CC(1/2)	0.974	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris pH 8.0, 3.0 M ammonium sulfate