6NTP

PTP1B Domain of PTP1B-LOV2 Chimera

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99994
Spacegroup name	P 31 2 1
Unit cell lengths	89.254, 89.254, 105.747
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.670 - 1.890
R-factor	0.18073
Rwork	0.179
R-free	0.21175
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a5j
RMSD bond length	0.008
RMSD bond angle	1.488
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.870	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.071	0.071
Rmeas		0.075
Rpim		0.025
Number of reflections	39530	1936
<I/σ(I)>	17.2	9.1
Completeness [%]	100.0	100
Redundancy	9
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100 mM HEPES, 200 mM magnesium acetate, and 14% polyethylene glycol 8000, pH 7.5