1G8I

CRYSTAL STRUCTURE OF HUMAN FREQUENIN (NEURONAL CALCIUM SENSOR 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93
Spacegroup name	P 1 21 1
Unit cell lengths	53.811, 55.524, 77.705
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	38.750 - 1.900
R-factor	0.22
Rwork	0.220
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bjf
RMSD bond length	0.015
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.060 *	0.350 *
Total number of observations	281683 *
Number of reflections	34949
<I/σ(I)>	8.9	2
Completeness [%]	99.0	98.9
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	4 *	30% PEG 8K, 0.1 M NaCacodylate, 0.2 M NaAc, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium cacodylate	0.1 (M)
2	1	reservoir		0.2 (M)
3	1	reservoir	PEG8000	30 (%)