5ZUO

Crystal Structure of BZ junction in diverse sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-04
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	111.237, 111.237, 62.211
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.411 - 2.902
R-factor	0.2603
Rwork	0.256
R-free	0.30140
RMSD bond length	0.002
RMSD bond angle	0.481
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.068	0.051	0.574
Total number of observations	105614
Number of reflections	9722	399	485
<I/σ(I)>	15.3
Completeness [%]	98.7	76.1	100
Redundancy	10.9	8.4	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	296	20% dioxane, with microseeding of small crystals