2IXG

Crystal structure of the ATPase domain of TAP1 with ATP (S621A, G622V, D645N mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	2005-11-11
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 41 21 2
Unit cell lengths	67.477, 67.477, 105.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.470 - 2.700
R-factor	0.217
Rwork	0.212
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ixe
RMSD bond length	0.004
RMSD bond angle	0.790
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.140	0.440
Number of reflections	7168
<I/σ(I)>	11.3	3.7
Completeness [%]	99.4	100
Redundancy	4.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6		SITTING DROP VAPOR DIFFUSION WITH A RESERVOIR CONTAINING 1.5 M SODIUM MALONATE PH 6.0