8YLL

Crystal structure of Burkholderia thailandensis MftR in complex with xanthine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	62.462, 62.462, 77.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.940 - 1.800
R-factor	0.2239
Rwork	0.223
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ylf
RMSD bond length	0.005
RMSD bond angle	0.735
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	16422	817
<I/σ(I)>	68.9	1.8
Completeness [%]	99.6	100
Redundancy	20.8	20.2
CC(1/2)	0.996	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	PEG 3350, ammonium formate