3GIF

Crystal structure of DesKC_H188E in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 2
Unit cell lengths	91.580, 93.480, 59.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.270 - 2.700
R-factor	0.257
Rwork	0.254
R-free	0.31700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3EHG and 3EHF
RMSD bond length	0.018
RMSD bond angle	2.001
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX (2009_02_15_2320_3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.270	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.071	0.565
Number of reflections	14581
<I/σ(I)>		2.8
Completeness [%]	99.9	100
Redundancy		4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG3350, CaCl2, Tris, KCl, ADP, pH 7.5, vapor diffusion, hanging drop, temperature 291K