2DHN

COMPLEX OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS WITH 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 2.2 A RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1997-01-21
Detector	MARRESEARCH
Spacegroup name	I 4 2 2
Unit cell lengths	62.200, 62.200, 123.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.202
Rwork	0.202
R-free	0.29800
Structure solution method	MR
Starting model (for MR)	DHNA UNLIGANDED
RMSD bond length	0.011
RMSD bond angle	1.860
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.053	0.195
Total number of observations	27653 *
Number of reflections	6008 *
<I/σ(I)>	12	3.9
Completeness [%]	95.9	98.6
Redundancy	4.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *		pH 6.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	magnesium formate	200 (mM)
2	1	reservoir	magnesium formate	175 (mM)