5MK1

Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (CHMP4A 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	2015-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	71.458, 73.669, 79.383
Unit cell angles	114.43, 90.28, 104.20

Refinement procedure

Resolution	28.410 - 2.500
R-factor	0.1779
Rwork	0.176
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rau
RMSD bond length	0.007
RMSD bond angle	1.232
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]	28.410	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.134	0.799
Number of reflections	47548
<I/σ(I)>	7.9	1.94
Completeness [%]	93.0	84.76
Redundancy	3.5	3.5
CC(1/2)	0.989	0.442

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	0.1 M Tris pH 7.8, 5% (poly-glutamic acid low molecular weight polymer) 20% PEG3350