6NBA

Crystal structure of Human Cystathionine gamma lyase with S-3-Carboxpropyl-L-Cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	80
Detector technology	CCD
Collection date	2017-06-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	68.551, 152.167, 83.771
Unit cell angles	90.00, 112.25, 90.00

Refinement procedure

Resolution	42.446 - 2.495
R-factor	0.1969
Rwork	0.196
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nmp
RMSD bond length	0.005
RMSD bond angle	0.838
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.495	2.500
Rmerge	0.125	0.610
Number of reflections	54611
<I/σ(I)>	11.5
Completeness [%]	99.2
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.03 M sodium nitrate 0.03 M sodium phosphate dibasic 0.03 M ammonium sulfate 12.5% (v/v) Methyl-2,4-pentanediol (MPD) 12.5% (v/v) PEG 1000 12.5% (w/v) PEG 3350 0.1 M Tris-BICINE buffer (pH 8.5)