5B3A

Crystal Structure of O-Phoshoserine Sulfhydrylase from Aeropyrum pernix in Complexed with the alpha-Aminoacrylate Intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	80
Detector technology	CCD
Collection date	2009-11-24
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	P 43 21 2
Unit cell lengths	74.151, 74.151, 275.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.920 - 2.140
R-factor	0.14471
Rwork	0.142
R-free	0.20284
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	CysO free form (PDB ID 3VSA)
RMSD bond length	0.017
RMSD bond angle	1.941
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.920	2.180
High resolution limit [Å]	2.140	2.140
Number of reflections	40639
<I/σ(I)>	59.8
Completeness [%]	98.0
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	0.1 M HEPES sodium pH 7.5, 27% 2-propanol, 12% PEG4000, 12 mM TCEP-HCl, the crystal was soaked with the reservoir solution containing 5% MPD as a cryoprotectant, 20 mM O-phospho-L-serine (OPS) and 12 mM TCEP-HCl