4G9J

Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1271
Spacegroup name	P 42 21 2
Unit cell lengths	138.007, 138.007, 113.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.586 - 3.100
R-factor	0.226
Rwork	0.224
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fjm
RMSD bond length	0.007
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	SCALA (3.2.19)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.586	49.110	3.330
High resolution limit [Å]	3.000	9.990	3.160
Rmerge	0.127	0.040	0.664
Total number of observations		3504	16250
Number of reflections	22186
<I/σ(I)>	11.2	13.2	1.2
Completeness [%]	99.0	96.3	99.7
Redundancy	5.9	5.2	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SITTING DROP	8	293	20% PEG6000, 1 M lithium chloride, pH 8.0, SITTING DROP, temperature 293K