1I43

CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR PPCA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1999-04-19
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	309.600, 170.100, 162.100
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.236 *
Rwork	0.236
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgn
RMSD bond length	0.005
RMSD bond angle	25.300 *
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	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.146	0.327
Number of reflections	117473
<I/σ(I)>	5.9
Completeness [%]	78.0	64
Redundancy	2.1	1.6

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)