3PGL

Crystal structure of human small C-terminal domain phosphatase 1 (Scp1) bound to rabeprazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9774
Spacegroup name	C 1 2 1
Unit cell lengths	125.525, 78.260, 62.682
Unit cell angles	90.00, 111.93, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.2104
Rwork	0.207
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.977
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.950	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.100	0.044	0.397
Number of reflections	21285
<I/σ(I)>	7.4
Completeness [%]	90.2	99	47.3
Redundancy	3.1	3.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	30% PEG 3350, 0.2 M magnesium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K