4HCF

Crystal Structure of Uncharacterized Cupredoxin-like Domain Protein Cupredoxin_1 with Copper Bound from Bacillus anthracis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97935
Spacegroup name	P 1 21 1
Unit cell lengths	38.275, 73.594, 40.366
Unit cell angles	90.00, 116.72, 90.00

Refinement procedure

Resolution	30.430 - 1.703
R-factor	0.179
Rwork	0.177
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Structure of the same protein (cupredoxin_1) without copper bound
RMSD bond length	0.008
RMSD bond angle	1.199
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1161))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	21670
<I/σ(I)>	11.8	2.48
Completeness [%]	99.5	99.9
Redundancy	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	289	120 mM magnessium sulfate, 150 mM formate pH 4.0, 38.6 % w/v PEG1000, 10 mM copper chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K