1IWQ

Crystal Structure of MARCKS calmodulin binding domain peptide complexed with Ca2+/Calmodulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45PX
Synchrotron site	SPring-8
Beamline	BL45PX
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2000-05-19
Detector	RIGAKU RAXIS V
Wavelength(s)	1.02
Spacegroup name	P 61 2 2
Unit cell lengths	40.229, 40.229, 343.468
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.22513
Rwork	0.223
R-free	0.26900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qiv
RMSD bond length	0.021 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079	0.270
Total number of observations	91390 *
Number of reflections	11956
<I/σ(I)>	14.2
Completeness [%]	95.9	98
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	PEG 6000, sodium acetate, calcium chrolide, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	30 (%(w/v))
2	1	reservoir		5 (mM)
3	1	reservoir	sodium acetate	100 (mM)	pH6.5