2PZ1

Crystal Structure of Auto-inhibited Asef

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	.97925, .97936, .97164
Spacegroup name	C 1 2 1
Unit cell lengths	100.418, 79.883, 67.407
Unit cell angles	90.00, 122.99, 90.00

Refinement procedure

Resolution	15.000 - 2.250
R-factor	0.22063
Rwork	0.217
R-free	0.27925
Structure solution method	MAD, MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.063
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.250	2.250
Number of reflections	20993
<I/σ(I)>	30.2	3.23
Completeness [%]	99.1	97.9
Redundancy	2.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	100 mM HEPES pH 7, 20 % PEG 3350, 200 mM magnesium acetate, 10% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	7	291	100 mM HEPES pH 7, 20 % PEG 3350, 200 mM magnesium acetate, 10% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	7	291	100 mM HEPES pH 7, 20 % PEG 3350, 200 mM magnesium acetate, 10% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 291K