1QAD

Crystal Structure of the C-Terminal SH2 Domain of the P85 alpha Regulatory Subunit of Phosphoinositide 3-Kinase: An SH2 domain mimicking its own substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	38.680, 46.920, 62.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.440 - 1.800
R-factor	0.158 *
Rwork	0.158
R-free	0.23600
Starting model (for MR)	1bfj
RMSD bond length	0.008 *
RMSD bond angle	2.100 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.440	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.044 *	0.068 *
Total number of observations	37237 *
Number of reflections	10947	677 *
<I/σ(I)>	7.2	10.2
Completeness [%]	98.7	84.5
Redundancy	3.4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6 *	277	Eck, M.J., (1993) Nature, 362, 87. *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	1mM protein (~13mg/ml)
2	1	2	50mM TRIS-HCL
3	1	2	50mM NaCl
4	1	2	1mM DTT

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000	25-35 (%)	can be replaced by PEG4000 or PEG8000
2	1	reservoir		50 (mM)
3	1	reservoir	sodium acetate	100 (mM)	pH4.6
4	1	drop	protein	50 (mg/ml)