1Y6W

Trapped intermediate of calmodulin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97896, 0.97919, 0.97129
Spacegroup name	P 43 21 2
Unit cell lengths	109.875, 109.875, 42.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.880 - 2.400
R-factor	0.22
Rwork	0.220
R-free	0.23800
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.064	0.380
Number of reflections	10558
<I/σ(I)>	18.9	3.5
Completeness [%]	98.6	98.2
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	277	32% (w/v) 2-methyl-2,4-pentanediol, 10% (v/v) t-butanol, 20 mM Na-cacodylate, 5 mM CaCl2, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K