5MJZ

Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (Apo structure)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.969
Spacegroup name	P 1 21 1
Unit cell lengths	69.498, 64.999, 81.504
Unit cell angles	90.00, 91.29, 90.00

Refinement procedure

Resolution	28.490 - 1.867
R-factor	0.1773
Rwork	0.176
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rau
RMSD bond length	0.005
RMSD bond angle	0.704
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2563: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.490	1.934
High resolution limit [Å]	1.867	1.867
Rmerge	0.125	0.882
Number of reflections	60112
<I/σ(I)>	9.24	1.99
Completeness [%]	99.3	97.25
Redundancy	4.1	4
CC(1/2)	0.995	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	Apo- HD-PTPBro1 crystals were obtained in 0.2M L-Na-Glutamate, 0.2M Alanine, 0.2M Glycine, 0.2M Lysine HCl, 0.2M Serine, 0.1 M Imidazole; MES monohydrate at pH 6.5 and 30% Ethylene glycol, PEG8K.