6LD8

Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with aminoacrylate and cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 41
Unit cell lengths	161.985, 161.985, 245.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.610 - 2.310
R-factor	0.167
Rwork	0.166
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ld7
RMSD bond length	0.014
RMSD bond angle	1.901
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.300	2.310
Rmerge	0.120	0.540
Number of reflections	137559	13694
<I/σ(I)>	23.5
Completeness [%]	99.9
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	0.12 M Ethylene Glycols Mix, 0.1 M Na HEPES/MOPS pH 7.5, 10%(w/v) PEG 4000, 20%(v/v) glycerol