8BFU

Crystal structure of the apo p110alpha catalytic subunit from homo sapiens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	58.288, 135.256, 142.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 2.410
R-factor	0.2449
Rwork	0.243
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tuu
RMSD bond length	0.004
RMSD bond angle	0.756
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	2.496
High resolution limit [Å]	2.410	2.410
Rmerge	0.080
Number of reflections	44423	4354
<I/σ(I)>	17.3
Completeness [%]	99.9
Redundancy	13.5
CC(1/2)	0.370	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12.5% (w/v) PEG 4K, 20% (v/v) 1,2,6-hexanetriol, 90 mM LiNaK, 0.1 M MOPSO/bis-tris pH 6.5