7R26

PI3K delta in complex with SD5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	143.003, 64.530, 117.347
Unit cell angles	90.00, 103.32, 90.00

Refinement procedure

Resolution	54.130 - 2.300
R-factor	0.2159
Rwork	0.214
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5is5
RMSD bond length	0.008
RMSD bond angle	0.860
Data reduction software	autoPROC (1.1.7 (20-OCT-2021))
Data scaling software	autoPROC (1.1.7 (20-OCT-2021))
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.135	2.122
High resolution limit [Å]	2.086	2.086
Rmerge	0.038	0.622
Number of reflections	60437	3076
<I/σ(I)>	17.1	2.2
Completeness [%]	97.1
Redundancy	3.4
CC(1/2)	0.999	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	31 mM NaNO4, 13 mM AS, 4 mM Na2HPO4, 20.9 % glycerol,8.55 % PEG4000, 0.1M imidazole pH6.8