1LLF

Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1.4A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-15
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	58.461, 58.477, 89.515
Unit cell angles	92.71, 97.48, 109.38

Refinement procedure

Resolution	30.000 - 1.400
R-factor	0.142
Rwork	0.136
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cle
RMSD bond length	0.011
RMSD bond angle	2.030 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.087	0.178
Total number of observations	1424531 *
Number of reflections	206525
<I/σ(I)>	14	7.8
Completeness [%]	90.2	88
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	PEG 3350, potassium phosphate, detergent Thesit, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG3350
2	1	drop	phosphate	50 (mM)	pH7.3
3	1	reservoir	PEG	21 (%)