1L8O

Molecular basis for the local conformational rearrangement of human phosphoserine phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-07-20
Detector	MACSCIENCE
Wavelength(s)	1.1
Spacegroup name	I 4
Unit cell lengths	106.213, 106.213, 87.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 * - 2.800
R-factor	0.204
Rwork	0.204
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	24.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.980
High resolution limit [Å]	2.800	2.800
Rmerge	0.059 *
Total number of observations	52545 *
Number of reflections	11843 *
Completeness [%]	98.4	87.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5 *	22 *	PEG 6000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium potassium phosphate	2.2-2.4 (M)	pH5.0
3	1	reservoir		0.1 (M)
4	1	reservoir	PEG400	2 (%)
5	1	reservoir	dithiothreitol	10 (mM)