5ZSO

SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	91.800, 91.800, 127.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.900 - 2.700
R-factor	0.2034
Rwork	0.201
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.900	45.900	2.800
High resolution limit [Å]	2.700	10.000	2.700
Rmerge	0.148	0.042	0.816
Rmeas	0.162	0.046	0.887
Number of reflections	17487	645	3363
<I/σ(I)>	10.18	27.92	2.03
Completeness [%]	100.0	99.1	100
Redundancy	6.107	5.648	6.482
CC(1/2)	0.994	0.998	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.05M Lithium sulfate, 0.1M Tris-HCl, 50% (v/v) PEG 200, 5mM L-cysteine