1X8C

Crystal structure of the SeMet-derivative copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	95
Detector technology	CCD
Collection date	2004-06-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97938, 0.97850, 0.97000
Spacegroup name	C 2 2 21
Unit cell lengths	74.579, 97.579, 131.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.260 - 2.100
R-factor	0.196
Rwork	0.196
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data scaling software	CCP4 ((SCALA))
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.260	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.071	0.164
Number of reflections	28343
<I/σ(I)>	8.3	4.3
Completeness [%]	1.0	97.6
Redundancy	10.5	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% PEG8000, 0.1M HEPES-Na Ph 7.0, 0.1M Calcium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% PEG8000, 0.1M HEPES-Na Ph 7.0, 0.1M Calcium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% PEG8000, 0.1M HEPES-Na Ph 7.0, 0.1M Calcium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K