1AD5

SRC FAMILY KINASE HCK-AMP-PNP COMPLEX

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	72.767, 92.360, 178.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.600
R-factor	0.239
Rwork	0.239
R-free	0.30700
Structure solution method	MIRAS/MAD
RMSD bond length	0.016
RMSD bond angle	3.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.053	0.189
Total number of observations	346924 *
Number of reflections	34027
<I/σ(I)>	12	3
Completeness [%]	96.8	92.8
Redundancy	10.2	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	292	HANGING DROPS (1UL) OF 50MG/ML PROTEIN AND 10MM AMP-PNP WERE MIXED WITH EQUAL VOLUMES OF RESERVOIR BUFFER CONTAINING 150 MM CALCIUM ACETATE, 100MM CACODYLATE (PH 6.5), 7% PEG 8000 AND 16% V/V ETHYLENE GLYCOL. THE MIXED DROPS WERE THEN SEEDED AND STORED AT 19 DEGREES C., vapor diffusion - hanging drop and seeding, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
10	1	reservoir	ethylene glycol	16 (%(v/v))
2	1	drop	quercetin	5 (mM)	can be replaced by 2AMP-PMP
3	1	drop	calcium acetate	75 (mM)
4	1	drop	cacodylate	50 (mM)
5	1	drop	PEG8000	3.5 (%(w/v))
6	1	drop	ethylene glycol	8 (%(v/v))
7	1	reservoir	calcium acetate	150 (mM)
8	1	reservoir	cacodylate	100 (mM)
9	1	reservoir	PEG8000	7 (%(w/v))