3NSK

Crystal Structure of the Post-Refolded S100A3 R51A Mutant Expressed in Insect Cell

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2009-10-31
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	58.725, 58.725, 45.704
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.030 - 1.550
R-factor	0.19613
Rwork	0.195
R-free	0.21425
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kso
RMSD bond length	0.003
RMSD bond angle	0.469
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	24792
Completeness [%]	97.0	89.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	Ammonium Sulfate, 0.1M Bicine, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 293K