6K1N

PLP-bound 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)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	90.025, 141.735, 157.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.455 - 2.260
R-factor	0.1896
Rwork	0.188
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nmp
RMSD bond length	0.008
RMSD bond angle	1.038
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	157.830	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	93522	2374
<I/σ(I)>	5.6
Completeness [%]	97.5
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	289	26% (v/v) polyethylene glycol 400, 0.2 M Calcium, 0.1 mM Na Acetate pH 4.2, 2 mM PLP