1XRI

X-ray structure of a putative phosphoprotein phosphatase from Arabidopsis thaliana gene AT1G05000

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	110
Detector technology	CCD
Collection date	2004-07-31
Detector	APS-1
Wavelength(s)	0.9793
Spacegroup name	P 21 3
Unit cell lengths	124.483, 124.483, 124.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.010 - 3.300
Rwork	0.204
R-free	0.24900
Structure solution method	MAD, SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.06)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.010	50.000	3.380
High resolution limit [Å]	3.300	8.130	3.300
Rmerge	0.115	0.055	0.291
Total number of observations		728	657
Number of reflections	18774
<I/σ(I)>	20.8	10.3	10.3
Completeness [%]	100.0	99.9	100
Redundancy	21.6	22.2	22.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 MG/ML PROTEIN 0.60 M AMMONIUM SULFATE, .100 M PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 MG/ML PROTEIN 0.60 M AMMONIUM SULFATE, .100 M PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K