5F1M

Crystal structure of Serine/threonine phosphatase Stp1 from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-31
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 2 21 21
Unit cell lengths	38.770, 77.350, 85.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.114 - 2.322
R-factor	0.2049
Rwork	0.202
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pk0
RMSD bond length	0.003
RMSD bond angle	0.572
Data reduction software	iMOSFLM
Data scaling software	iMOSFLM
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.770	38.770	2.400
High resolution limit [Å]	2.320	8.990	2.320
Rmerge	0.177	0.044	1.079
Rmeas	0.192	0.048	1.198
Rpim	0.072	0.018	0.510
Total number of observations	80708	1494	6028
Number of reflections	11662
<I/σ(I)>	8.2	21.4	1.3
Completeness [%]	100.0	98.1	99.9
Redundancy	6.9	6.1	5.3
CC(1/2)	0.994	0.999	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	15%PEG4000, 200mM MgCl2, 100mM Tris, 0.5mM MnCl2