7LHR

Crystal structure of adenosine-5'-phosphosulfate reductase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	77.414, 77.414, 204.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.250 - 3.110
R-factor	0.2095
Rwork	0.207
R-free	0.24920
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Number of reflections	11937	568
<I/σ(I)>	32.4
Completeness [%]	100.0
Redundancy	23.3
CC(1/2)		0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M MES, 10-12% (w/v) PEG 20000