5VR6

Structure of Human Sts-1 histidine phosphatase domain with sulfate bound

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	2016-04-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 21 21 21
Unit cell lengths	62.640, 79.160, 105.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.870
R-factor	0.19655
Rwork	0.194
R-free	0.24101
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h0q
RMSD bond length	0.006
RMSD bond angle	1.115
Data reduction software	d*TREK
Data scaling software	d*TREK
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	1.900
High resolution limit [Å]	1.870	5.070	1.870
Rmerge	0.077	0.041	0.203
Rmeas	0.086	0.046	0.232
Rpim	0.037	0.020	0.109
Total number of observations	211226
Number of reflections	41518
<I/σ(I)>	4.9
Completeness [%]	94.4	99.3	77.7
Redundancy	5.1	5	4.1
CC(1/2)		0.998	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	22 - 25% PEG 2000 MME 200 mM Ammonium Sulfate 0.1 M Sodium Acetate