4IJ6

Crystal Structure of a Novel-type Phosphoserine Phosphatase Mutant (H9A) from Hydrogenobacter thermophilus TK-6 in Complex with L-phosphoserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-11
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	49.330, 68.920, 123.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.150 - 1.800
R-factor	0.1918
Rwork	0.190
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ij5
RMSD bond length	0.005
RMSD bond angle	1.099
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.200
High resolution limit [Å]	1.800
Number of reflections	39566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	100 mM sodium acetate trihydrate, 20 mM calcium chloride dihydrate, and 30% (v/v)-2-methyl-2,4-pentanediol, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K