7COX

Crystal structure of Neisseria meningitidis EarP R268A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	59.953, 126.383, 155.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.050 - 3.000
R-factor	0.2097
Rwork	0.209
R-free	0.24310
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.050	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.121	1.574
Rpim	0.041	0.518
Number of reflections	24389	2372
<I/σ(I)>	15.41
Completeness [%]	99.9
Redundancy	9.7
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Sodium cacodylate pH6.5, 1.26M Ammonium sulfate