1G5F

STRUCTURE OF LINB COMPLEXED WITH 1,2-DICHLOROETHANE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2000-06-01
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	50.860, 71.890, 73.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.540 - 1.800
R-factor	0.173
Rwork	0.173
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cv2
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.072	0.359
Number of reflections	54733
<I/σ(I)>	10.85	2.09
Completeness [%]	100.0	100
Redundancy	2.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.9	278	0.2 M Calcium Acetate, 18-20% PEG 6000, 0.1 M Tris Buffer pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 278K