5I7W

Crystal Structure of a Cysteine Synthase from Brucella suis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	60.020, 71.860, 201.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.066 - 1.950
R-factor	0.178
Rwork	0.177
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ve1
RMSD bond length	0.006
RMSD bond angle	0.768
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.123	0.052	0.529
Number of reflections	64412
<I/σ(I)>	9.82	16.55	3.67
Completeness [%]	99.8	97.1	100
Redundancy	13.1
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	BrsuA.01147.a.A1.PS01448 at 20 mg/ml was mixed 1:1 with JCSG+(g6): 0.2 M sodium malonate, pH = 7.0, 20% (w/v) PEG-3350, cryoprotected with 20% glycerol, in 2 steps