5ZUP

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	112.605, 112.605, 61.833
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.110 - 2.900
R-factor	0.2603
Rwork	0.258
R-free	0.28200
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	10053
<I/σ(I)>	50.4
Completeness [%]	99.8
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	296	25% ethylene glycol, with microseeding of small crystal