4L1B

Crystal Structure of p110alpha complexed with niSH2 of p85alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	70.561, 136.901, 150.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.089 - 2.586
R-factor	0.2197
Rwork	0.217
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhm
RMSD bond length	0.004
RMSD bond angle	0.849
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.670
High resolution limit [Å]	2.580	2.580
Rmerge	0.135	0.611
Number of reflections	46123
<I/σ(I)>	12.2	2.3
Completeness [%]	98.9	90.2
Redundancy	4.8	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.15 M Lithium sulfate, 0.1 M Tris PH 8.5, 30%(W/V) PEG 1000MME, vapor diffusion, hanging drop, temperature 291K