3L0Y

Crystal structure OF SCP1 phosphatase D98A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-24
Detector	ADSC QUANTUM 315
Spacegroup name	C 1 2 1
Unit cell lengths	124.791, 78.979, 62.939
Unit cell angles	90.00, 112.79, 90.00

Refinement procedure

Resolution	48.980 - 2.300
R-factor	0.194
Rwork	0.192
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ghq
RMSD bond length	0.011
RMSD bond angle	1.350
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.090	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	22230
<I/σ(I)>	17.5	3.4
Completeness [%]	90.2	57.2
Redundancy	3.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.5M ammonium sulfate, 0.2M lithium sulfate, 100MM HEPES 7.0. Crystal is then transferred to 100MM sodium citrate PH 5.5, 30% PEG8000, 20MM PNPP, 10MM magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K