6IZS

Crystal structure of Haemophilus influenzae BamA POTRA4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.9785
Spacegroup name	P 65 2 2
Unit cell lengths	80.530, 80.530, 105.141
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.000 - 2.030
R-factor	0.17999
Rwork	0.178
R-free	0.21765
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qdf
RMSD bond length	0.032
RMSD bond angle	2.909
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	2.100
High resolution limit [Å]	2.030	2.030
Rmerge		1.770
Number of reflections	13557	1310
<I/σ(I)>	21.6
Completeness [%]	99.8	99.7
Redundancy	35.1
CC(1/2)	0.990	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	ammonium sulfate