5C1G

Crystal structure of ABBA + UDP + DI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2007-10-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.510, 149.300, 79.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.840 - 1.460
R-factor	0.1781
Rwork	0.177
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.010
RMSD bond angle	1.528
Data reduction software	CrystalClear
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.840	19.840	1.510
High resolution limit [Å]	1.460	3.140	1.460
Rmerge	0.031	0.016	0.240
Total number of observations	226863	25876	17997
Number of reflections	52594
<I/σ(I)>	22.3	71.3	4.4
Completeness [%]	96.5	89.2	97
Redundancy	4.28	4.98	3.44

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Grown in 1% polyethylene glycol (PEG) 4000, 4.5-5% 2-methyl-2,4-pentanediol (MPD), 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM N-[-acetamido]-2-iminodiacetic acid (ADA), 30 mM sodium acetate, 5 mM manganese chloride. Grown 5-10 days.