5WDI

Structure of Human Sts-2 histidine phosphatase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	77.507, 113.115, 60.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.940 - 2.430
R-factor	0.2058
Rwork	0.203
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d4i
RMSD bond length	0.005
RMSD bond angle	1.006
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	50.000	2.470
High resolution limit [Å]	2.430	6.590	2.430
Rmerge	0.092	0.024	0.568
Rmeas	0.107	0.029	0.671
Rpim	0.055	0.015	0.353
Total number of observations	74181
Number of reflections	20513		958
<I/σ(I)>	7.7
Completeness [%]	98.3	98.9	94.2
Redundancy	3.6	3.4	3.4
CC(1/2)		0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1 M HEPES, pH 7.0 22% PEG 4000 0.2 M potassium acetate 0.2 M lithium sulfate