5MK0

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	43.751, 64.690, 70.621
Unit cell angles	101.39, 97.16, 102.21

Refinement procedure

Resolution	41.190 - 1.765
R-factor	0.1611
Rwork	0.160
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rau
RMSD bond length	0.005
RMSD bond angle	0.634
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]	41.190	1.828
High resolution limit [Å]	1.765	1.765
Rmerge	0.054	0.293
Number of reflections	69302
<I/σ(I)>	10.2	3.23
Completeness [%]	96.5	93.55
Redundancy	2.2	2.2
CC(1/2)	0.995	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Ammonium tartrate dibasic, 20% PEG3350 and 0.1 M MMT buffer pH 9.0, 25% PEG1500