5B36

Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with Cysteine

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	2010-01-29
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	P 43 21 2
Unit cell lengths	74.181, 74.181, 278.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.100 - 2.150
R-factor	0.18335
Rwork	0.180
R-free	0.24598
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	CysO free form (PDB ID 3VSA)
RMSD bond length	0.024
RMSD bond angle	2.091
Data scaling software	HKL-2000
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.100	2.180
High resolution limit [Å]	2.150	2.140
Number of reflections	43621
<I/σ(I)>	17
Completeness [%]	92.0
Redundancy	13.5

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, 10% PEG4000, 12 mM TCEP-HCl, the crystal was soaked with the reservoir solution containing 6% MPD as a cryoprotectant, 20 mM L-cysteine, and 12 mM TCEP-HCl