1I41

CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR APPA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1999-03-21
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	312.200, 166.000, 161.800
Unit cell angles	90.00, 90.20, 90.00

Refinement procedure

Resolution	20.000 - 3.200
R-factor	0.239 *
Rwork	0.239
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgn
RMSD bond length	0.005
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.180	0.362
Number of reflections	117491
<I/σ(I)>	3.4
Completeness [%]	87.0	77
Redundancy	2.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.8 *	291	used seeding *
1	Vapor diffusion, sitting drop *	7.8 *	291	used seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES-NaOH	100 (mM)
2	1	reservoir	magnesium acetate	200 (mM)
3	1	reservoir	PEG8000	10 (%(w/v))
4	1	drop	Tris-HCl	10 (mM)
5	1	drop	PLP	0.010 (mM)