4U00

Crystal structure of TTHA1159 in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-05-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	32.107, 81.370, 49.338
Unit cell angles	90.00, 104.48, 90.00

Refinement procedure

Resolution	23.971 - 2.100
R-factor	0.1916
Rwork	0.187
R-free	0.23090
RMSD bond length	0.008
RMSD bond angle	1.264
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.100
Number of reflections	13601
<I/σ(I)>	17
Completeness [%]	93.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.1M Bis-Tris, 25% PEG 3350, 0.2M Ammonium acetate