1EYE

1.7 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTEROATE SYNTHASE (DHPS) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 6-HYDROXYMETHYLPTERIN MONOPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	140
Detector technology	IMAGE PLATE
Collection date	1999-07-04
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 32 2 1
Unit cell lengths	62.900, 62.900, 121.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.185
Rwork	0.185
R-free	0.24300
RMSD bond length	0.010 *
RMSD bond angle	2.000 *
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.500	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.043	0.177
Total number of observations	136341 *
Number of reflections	25211
<I/σ(I)>	32.411
Completeness [%]	80.5	69.9
Redundancy	5.4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	25 *	PEG 4000, Sodium Acetate, Ammonium Acetate, para-aminosalicylic acid, 6-hydroxymethl pterin monophosphate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	100 (mM)
2	1	reservoir	ammonium acetate	200 (mM)
3	1	reservoir	PEG4000	30 (%(w/v))
4	1	reservoir	PtP	3 (mM)
5	1	reservoir	pABA	3 (mM)