5WAQ

Structure of BamD from Neisseria gonorrhoeae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	64.415, 64.415, 166.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.548 - 2.501
R-factor	0.2404
Rwork	0.235
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yhc
RMSD bond length	0.002
RMSD bond angle	0.392
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_2722)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.104	0.055	2.300
Rmeas	0.112	0.059	2.443
Rpim	0.040	0.022	0.813
Number of reflections	12840
<I/σ(I)>	6.6
Completeness [%]	99.9	99.7	100
Redundancy	8.1	7	8.8
CC(1/2)		0.998	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	1.0M LITHIUM CHLORIDE, 0.1M HEPES PH 7.0, 10% PEG6000