5MK3

Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro 1 domain (CHMP4C peptide complex structure)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
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	66.436, 70.835, 79.291
Unit cell angles	90.54, 98.22, 106.82

Refinement procedure

Resolution	49.920 - 2.000
R-factor	0.1982
Rwork	0.198
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rau
RMSD bond length	0.002
RMSD bond angle	0.535
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]	49.920	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.057	0.228
Number of reflections	88613
<I/σ(I)>	11.96	4.22
Completeness [%]	95.9	94.24
Redundancy	2.2	2.1
CC(1/2)	0.996	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Potassium thiocyanate, 0.1 M Bis-Tris propane pH 6.5, 20% PEG 3350