6XY7

Human SHIP1 with magnesium and phosphate bound to the active site

This is a non-PDB format compatible entry.

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	2019-08-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.8266
Spacegroup name	P 21 21 21
Unit cell lengths	62.500, 79.088, 89.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.193 - 1.086
Rwork	0.136
R-free	0.15870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5okm
RMSD bond length	0.011
RMSD bond angle	1.702
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.193	1.140
High resolution limit [Å]	1.086	1.093
Rmerge	0.152	2.190
Rmeas	0.155	2.246
Rpim	0.030	0.480
Number of reflections	159826	7907
<I/σ(I)>	11.7	1.4
Completeness [%]	87.6	59.6
Redundancy	26.9	20.7
CC(1/2)	0.998	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	30 mM sodium nitrate, 30 mM dibasic sodium phosphate, 30 mM ammonium sulphate, 100 mM MES/imidazole, pH 6.5, 20 % PEG 500 MME, 10% PEG 20,000