8SKY

Crystal structure of YisK from Bacillus subtilis in complex with oxalate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	120
Detector technology	PIXEL
Collection date	2019-09-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	52.336, 94.845, 123.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.210 - 2.400
R-factor	0.1914
Rwork	0.189
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.171
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.210	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.135	1.460
Rpim	0.041	0.632
Number of reflections	24631	2351
<I/σ(I)>	14
Completeness [%]	99.0	92.7
Redundancy	11.5
CC(1/2)	0.998	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.1 M AmSO4, 25% (w/v) PEG-4000 and 15% (v/v) glycerol