6VBM

Crystal structure of a S310A mutant of PBP2 from Neisseria gonorrhoeae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	44.594, 77.007, 87.889
Unit cell angles	90.00, 92.34, 90.00

Refinement procedure

Resolution	39.100 - 1.710
R-factor	0.19509
Rwork	0.194
R-free	0.22170
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6p53
RMSD bond length	0.008
RMSD bond angle	1.281
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	FFT
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	1.750
High resolution limit [Å]	1.710	1.710
Rmerge	0.069	0.400
Rpim	0.034	0.206
Number of reflections	63070	2904
<I/σ(I)>	45.9	3
Completeness [%]	98.6	92.6
Redundancy	5.1
CC(1/2)	0.990	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.3	291	0.1 M CHES, 40% PEG 600