1BSK

ZINC DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1998-05-15
Detector	RIGAKU RAXIS
Spacegroup name	P 65 2 2
Unit cell lengths	99.170, 99.170, 110.755
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400 *
R-factor	0.199 *
Rwork	0.167
R-free	0.22300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dff
RMSD bond length	0.015
RMSD bond angle	1.739
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.100
High resolution limit [Å]	2.400 *	2.400 *
Rmerge	0.079 *	0.240 *
Total number of observations	58431 *
Number of reflections	10960 *
Completeness [%]	85.2 *	86.3 *
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	4 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	0.1 (M)
2	1	reservoir		1.9 (M)
3	1	drop	protein	14.4 (mg/ml)
4	1	drop	sodium phosphate	20 (mM)
5	1	drop		10 (mM)
6	1	drop	ammonium sulfate	0.86 (M)
7	1	drop	inhibitor	1 (mM)