8TV8

Crystal structure of nontypeable Haemophilus influenzae SapA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-08
Detector	RAYONIX MX-300
Wavelength(s)	0.978560
Spacegroup name	P 41 21 2
Unit cell lengths	119.755, 119.755, 129.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.014 - 2.250
Rwork	0.197
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.691
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.014	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.089	0.718
Rmeas	0.091	0.737
Rpim	0.021	0.165
Total number of observations		81561
Number of reflections	45307	4108
<I/σ(I)>	16.1	4.3
Completeness [%]	99.9
Redundancy	19.2	19.9
CC(1/2)	0.998	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.4	295	0.1 M Tris pH 9.4, 1.5 M ammonium phosphate, 0.18 M sodium thiocyanate