6K1O

Apo form of a putative cystathionine gamma-lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	61.747, 154.303, 158.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.422 - 2.033
R-factor	0.1896
Rwork	0.189
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nmp
RMSD bond length	0.008
RMSD bond angle	1.063
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.070
High resolution limit [Å]	2.030	2.030
Rmerge		1.160
Rmeas		1.295
Rpim		0.563
Number of reflections	97813	4713
<I/σ(I)>	17.5	1.3
Completeness [%]	99.5	97.3
Redundancy	6.2	4.7
CC(1/2)		0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	20% (v/v) polyethylene glycol 3350, 200 mM Calcium acetate, 100 mM Tris pH 7.0, 5 mM 3-cyano-L-alanine