1ZNE

Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-10-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	53.228, 53.228, 137.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.600 - 2.000
R-factor	0.1928
Rwork	0.191
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qy0
RMSD bond length	0.013
RMSD bond angle	1.710
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.600	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	13860
<I/σ(I)>	6.5	1.9
Completeness [%]	98.6	100
Redundancy	5.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	291	CdCl, Malate, HCl, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K