1HWP

EBULIN COMPLEXED WITH PTEROIC ACID, TRIGONAL CRYSTAL FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	150
Detector technology	IMAGE PLATE
Collection date	1998-10-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	74.230, 74.230, 190.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 3.100
Rwork	0.219
R-free	0.31700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hwo
RMSD bond length	0.005
RMSD bond angle	30.982 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.118	0.378
Number of reflections	11311
<I/σ(I)>	7.3
Completeness [%]	97.5	98.1
Redundancy	1.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	25 *	1.1 M Na,K Tartrate, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	reservoir	Na, K tartrate	1.1 (M)
3	1	reservoir	HEPES	100 (mM)