5ZU1

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	108.920, 108.920, 62.004
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.994 - 3.009
R-factor	0.2378
Rwork	0.233
R-free	0.27970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2acj
RMSD bond length	0.011
RMSD bond angle	1.690
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]	20.000	20.000	3.110
High resolution limit [Å]	3.000	6.400	3.000
Rmerge	0.059	0.035	0.399
Number of reflections	8369	831	839
<I/σ(I)>	21.1
Completeness [%]	99.5	95.1	100
Redundancy	10.5	9.6	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.5	296	25% 2-methyl-2,4-pentanediol (MPD), 100mM NaOAC, pH 4.5