6KFZ

SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec at 1.96 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	92.800, 92.800, 128.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.077 - 1.960
R-factor	0.1572
Rwork	0.156
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.077	34.077	1.960
High resolution limit [Å]	1.860	10.000	1.860
Rmerge	0.046	0.019	0.727
Rmeas	0.051	0.021	0.806
Total number of observations	539893
Number of reflections	46569	669	15035
<I/σ(I)>	18.77	59.5	2.16
Completeness [%]	99.9	98.1	100
Redundancy	5.194	5.064	5.361
CC(1/2)	0.999	0.999	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Tris-HCl, 50mM lithium sulfate, 50 % (v/v) PEG 200