5C1H

Crystal structure of ABBB + 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	52.630, 149.360, 79.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.740 - 1.550
R-factor	0.1799
Rwork	0.178
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.010
RMSD bond angle	1.555
Data reduction software	CrystalClear
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.740	19.930	1.610
High resolution limit [Å]	1.550	3.330	1.550
Rmerge	0.034	0.018	0.272
Total number of observations	157696	21470	13674
Number of reflections	42208
<I/σ(I)>	18.5	57.4	3.9
Completeness [%]	91.8	90.8	91.4
Redundancy	3.71	4.85	3.28

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.