1NBU

7,8-Dihydroneopterin Aldolase Complexed with Product From Mycobacterium Tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2002-01-17
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	78.560, 85.150, 74.790
Unit cell angles	90.00, 112.69, 90.00

Refinement procedure

Resolution	20.000 * - 1.600
R-factor	0.177
Rwork	0.166
R-free	0.25800 *
Structure solution method	AB INITIO
Starting model (for MR)	1dhn
RMSD bond length	0.019
RMSD bond angle	2.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	GLRF
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.069 *	0.500 *
Number of reflections	118216 *	111905 *
Completeness [%]	99.2	93.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	300	PEG 4000, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop		350 (mM)
3	1	drop	Tris-HCl	50 (mM)	pH7.4
4	1	reservoir	PEG4000	11 (%)
5	1	reservoir		0.1 (M)
6	1	reservoir	sodium acetate	0.1 (M)	pH4.6