9MR0

Neisseria meningitidis haptoglobin-hemogloblin utilization protein A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979307
Spacegroup name	P 21 21 21
Unit cell lengths	93.747, 94.030, 121.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.570 - 2.230
R-factor	0.1748
Rwork	0.173
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.744
Data reduction software	XDS (BUILT 20241002)
Data scaling software	pointless (1.13.4)
Phasing software	PHASER (1.21.2-5419)
Refinement software	PHENIX (1.21.2-5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.570	2.350
High resolution limit [Å]	2.230	2.230
Rmerge	0.268	1.405
Rmeas	0.283	1.494
Rpim	0.092	0.501
Total number of observations	506830
Number of reflections	53405	7682
<I/σ(I)>	8.3
Completeness [%]	100.0	99.28
Redundancy	9.5	9
CC(1/2)	0.990	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	0.1M HEPES pH 7.5, 20% (w/v) PEG8000