3VSD

Crystal Structure of the K127A Mutant of O-Phosphoserine Sulfhydrylase Complexed with External Schiff Base of Pyridoxal 5'-Phosphate with O-Acetyl-L-Serine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-09
Detector	Bruker DIP-6040
Wavelength(s)	0.90000
Spacegroup name	P 43 21 2
Unit cell lengths	75.646, 75.646, 275.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.090
R-factor	0.2367
Rwork	0.233
R-free	0.30470
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.019
RMSD bond angle	1.867
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.090	5.700	2.090
Rmerge	0.080	0.055	0.335
Number of reflections	47287
<I/σ(I)>	10.7
Completeness [%]	97.7	98.6	95.1
Redundancy	7.8	12	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	296	0.1M HEPES sodium pH 6.8, 27% 2-propanol, 10% PEG 4000, 5mM O-acetyl-L-serine, 5mM 2-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 296K