2BE4

X-RAY STRUCTURE AN EF-HAND PROTEIN FROM DANIO RERIO Dr.36843

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97911, 0.96411
Spacegroup name	P 21 21 21
Unit cell lengths	47.884, 52.748, 114.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.166 - 2.100
R-factor	0.17937
Rwork	0.175
R-free	0.25290
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.586
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.093	0.510
Number of reflections	17378
<I/σ(I)>	11.052	2.779
Completeness [%]	98.8	98.3
Redundancy	8.4	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	10 MG/ML PROTEIN, 26% PEG 2K, 0.100 M BTP, pH 9.0, vapor diffusion, hanging drop, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	9	277	10 MG/ML PROTEIN, 26% PEG 2K, 0.100 M BTP, pH 9.0, vapor diffusion, hanging drop, temperature 277K