3FXL

Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 1 mM of Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	91.412, 91.412, 106.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.970 - 2.300
R-factor	0.193
Rwork	0.189
R-free	0.25400
RMSD bond length	0.011
RMSD bond angle	1.370
Data scaling software	d*TREK (7.1SSI)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.970	14.970	2.380
High resolution limit [Å]	2.300	4.900	2.300
Rmerge	0.121	0.048	0.391
Total number of observations		17125	16206
Number of reflections	22725
<I/σ(I)>		14.4	1.9
Completeness [%]	97.6	93.2	98.5
Redundancy	6.76	6.37	7.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	277	50mM trisodium citrate, 12%(w/v) PEG8000, 15%(v/v) glycerol, 2mM DTT, 1mM MnCl2, pH 5.2, vapor diffusion, hanging drop, temperature 277K