1BXM

ENGINEERED BETA-CRYPTOGEIN COMPLEXED WITH ERGOSTEROL

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-02
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	31.130, 95.230, 65.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.150
R-factor	0.189
Rwork	0.189
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	THE REFINED 2.2 ANGSTROMS RESOLUTION STRUCTURE OF THE WILD-TYPE BETA-CRYPTOGEIN (1BEO). THE ERGOSTEROL MOLECULE WAS CONSTRUCTED USING AS A TEMPLATE THE COORDINATES OF THE CHOLESTERYL LINOLEATE MOLECULE COMPLEXED TO THE CHOLESTEROL ESTERASE (1CLE).
RMSD bond length	0.009
RMSD bond angle	22.800 *
Data reduction software	ROTAVATA
Data scaling software	XDS
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	2.100
Rmerge	0.046 *
Total number of observations	33143 *
Number of reflections	5370
Completeness [%]	96.1
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5		pH 4.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	75 (mg/ml)
2	1	reservoir		3.2-4.9 (M)
3	1	reservoir	sodium acetate	50 (mM)
4	1	reservoir		0.01 (%)