5W5G

Structure of Human Sts-1 histidine phosphatase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	C 1 2 1
Unit cell lengths	116.602, 74.498, 101.720
Unit cell angles	90.00, 100.88, 90.00

Refinement procedure

Resolution	50.000 - 2.480
R-factor	0.1971
Rwork	0.194
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d4i
RMSD bond length	0.005
RMSD bond angle	0.966
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	75.000	2.530
High resolution limit [Å]	2.480	6.760	2.490
Rmerge	0.115	0.074	0.490
Rmeas	0.146	0.093	0.629
Rpim	0.089	0.056	0.388
Number of reflections	28546
<I/σ(I)>	8.3
Completeness [%]	93.8	91.9	93.9
Redundancy	2.3	2.4	2.1
CC(1/2)		0.985	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1 M Hepes, pH 7 5% ethylene glycol 0.3 M magnesium chloride 13% PEG 8000