5XUO

Pks13 AT domain fragment from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-19
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	0.97776
Spacegroup name	H 3 2
Unit cell lengths	94.443, 94.443, 96.975
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.221 - 2.586
R-factor	0.2382
Rwork	0.237
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.540
Data scaling software	HKL-3000
Phasing software	PHENIX (v1.11.1)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.221	3.260
High resolution limit [Å]	2.586	2.590
Number of reflections	5359
<I/σ(I)>	7.92
Completeness [%]	99.8
Redundancy	17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	PEG 3350, potassium acetate