9LP5

The crystal structure of human PTP1B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.941
Spacegroup name	P 31
Unit cell lengths	86.457, 86.457, 103.345
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.448 - 2.406
R-factor	0.1796
Rwork	0.177
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.974
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.172	0.072	0.959
Rmeas	0.186	0.078	1.048
Rpim	0.070	0.031	0.416
Number of reflections	55505	1683	1633
<I/σ(I)>	4.3
Completeness [%]	100.0	100	100
Redundancy	6.8	6.6	6
CC(1/2)	0.986	0.990	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1M Calcium acetate hydrate, 0.1M MES PH 6.0, 15% v/v PEG400