7Y8X

Crystal structure of AlbEF homolog from Quasibacillus thermotolerans in complex with Ni(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-06-23
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.00000
Spacegroup name	P 31 2 1
Unit cell lengths	136.382, 136.382, 118.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.710 - 2.250
R-factor	0.2015
Rwork	0.200
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y8u
RMSD bond length	0.002
RMSD bond angle	0.412
Data reduction software	XDS (20171218)
Data scaling software	Aimless (0.7.1)
Phasing software	MOLREP (11.6.03)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.710	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.049	0.638
Rmeas	0.050	0.653
Rpim	0.011	0.140
Number of reflections	60598	4435
<I/σ(I)>	40.5	6.3
Completeness [%]	99.9	99.6
Redundancy	20.4	21.3
CC(1/2)	1.000	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	sodium/potassium phosphate