6KRX

Crystal Structure of AtPTP1 at 1.7 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	116.536, 38.970, 75.525
Unit cell angles	90.00, 110.81, 90.00

Refinement procedure

Resolution	37.201 - 1.700
Rwork	0.151
R-free	0.17430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hnp
RMSD bond length	0.006
RMSD bond angle	1.279
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.043	0.191
Rmeas	0.049	0.220
Rpim	0.021	0.106
Number of reflections	34099	2732
<I/σ(I)>	30.4	6
Completeness [%]	96.6	78.4
Redundancy	4.8	4
CC(1/2)	0.994	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M sodium citrate (pH 6.0), 25 ~ 30% polyethylene glycol (PEG) 3350, 0.2 M potassium iodide.