8GLO

Haemophilus parainfluenzae Holo HphA

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	2021-07-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979328
Spacegroup name	P 21 21 21
Unit cell lengths	49.402, 50.313, 125.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.300 - 1.937
R-factor	0.1856
Rwork	0.183
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.563
Data reduction software	autoPROC
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.300	2.006
High resolution limit [Å]	1.937	1.937
Number of reflections	24073	2366
<I/σ(I)>	12.23
Completeness [%]	99.8
Redundancy	11.3
CC(1/2)	0.998	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Microseeding using seed stock obtained from 2.4 M sodium malonate pH 7.0 into final hit condition: 0.1M Tris-HCl pH 8.52 and 2M ammonium sulfate