7R2B

PI3Kdelta in complex with an inhibitor

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	2011-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	142.290, 64.056, 117.185
Unit cell angles	90.00, 103.19, 90.00

Refinement procedure

Resolution	58.140 - 2.700
R-factor	0.2247
Rwork	0.222
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5is5
RMSD bond length	0.008
RMSD bond angle	0.930
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]	114.095	2.558
High resolution limit [Å]	2.515	2.515
Rmerge	0.069	0.615
Rpim	0.045	0.401
Number of reflections	35003	1742
<I/σ(I)>	10.6	3.3
Completeness [%]	99.3
Redundancy	3.3	2.1
CC(1/2)	0.998	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	4 mM NaNO4,36mM AS,.9mM Na2HPO4,13.1% glycerol, 9.1% PEG4000, 0.1M imidazole pH6.9