6C4P

Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex

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	80.733, 80.733, 207.923
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.1731
Rwork	0.169
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
RMSD bond length	0.012
RMSD bond angle	1.521
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0173)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.085	0.070	0.195
Rmeas	0.091	0.076	0.208
Rpim	0.030	0.028	0.066
Total number of observations	113960
Number of reflections	17876	1799	1793
<I/σ(I)>	17
Completeness [%]	96.0	86.2	99.2
Redundancy	6.4	6	6.4
CC(1/2)		0.991	0.982

Crystallization Conditions

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