7Y8V

Crystal structure of AlbEF homolog mutant (AlbF-H54A/H58A) from Quasibacillus thermotolerans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-12-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 31 2 1
Unit cell lengths	136.423, 136.423, 119.001
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.920 - 2.300
R-factor	0.2014
Rwork	0.200
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y8u
RMSD bond length	0.003
RMSD bond angle	0.506
Data reduction software	XDS (20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.7.02)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.840	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.048	0.458
Rmeas	0.050	0.483
Rpim	0.016	0.153
Number of reflections	57022	4391
<I/σ(I)>	25.3	4.6
Completeness [%]	99.8	99.7
Redundancy	10.2	9.9
CC(1/2)	1.000	0.971

Crystallization Conditions

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