6C2Q

Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-L-Serine Intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 65 2 2
Unit cell lengths	81.107, 81.107, 208.519
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.170
R-factor	0.1613
Rwork	0.159
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
RMSD bond length	0.009
RMSD bond angle	1.389
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.210
High resolution limit [Å]	2.170	5.890	2.170
Rmerge	0.063	0.027	0.277
Rmeas	0.066	0.029	0.292
Rpim	0.019	0.009	0.093
Total number of observations	252461
Number of reflections	22476	1302	1079
<I/σ(I)>	12.4
Completeness [%]	100.0	99.4	100
Redundancy	11.2	9.7	9.5
CC(1/2)		0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	30% PEG400, 100 mM calcium acetate, 100 mM Tris, pH 8.0