3EHH

Crystal structure of DesKC-H188V in complex with ADP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793, 0.9795, 0.9756
Spacegroup name	P 21 21 21
Unit cell lengths	34.743, 124.050, 138.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.195
Rwork	0.193
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.743
Data scaling software	SCALA (3.2.25)
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.345	41.350	2.210
High resolution limit [Å]	2.097	6.640	2.100
Rmerge	0.106	0.083	0.373
Total number of observations		20087	72851
Number of reflections	35284
<I/σ(I)>	4.961	6.2	1.8
Completeness [%]	97.8	95.7	96.5
Redundancy	19.8	16.2	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	PEG3350, CaCl2, ADP, pH 9, vapor diffusion, hanging drop, temperature 291K