2DS6

Structure of the ZBD in the tetragonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-11-30
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	42.629, 42.629, 128.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.264
Rwork	0.264
R-free	0.31300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ds5
RMSD bond length	0.005
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	7652
Completeness [%]	94.5	64.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	100mM tri-sodium citrate, pH 5.6, 2% ethyleneimine polymer, 500mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K