4GUC

1.4 Angstrom resolution crystal structure of uncharacterized protein BA_2500 from Bacillus anthracis str. Ames

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03316
Spacegroup name	P 1
Unit cell lengths	27.470, 34.708, 61.928
Unit cell angles	81.33, 79.45, 70.07

Refinement procedure

Resolution	29.840 - 1.400
R-factor	0.14932
Rwork	0.147
R-free	0.18693
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.772
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.068	0.340
Number of reflections	39510
<I/σ(I)>	20.22	3.8
Completeness [%]	95.6	92.4
Redundancy	5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	Crystallization condition: 25% PEG 3350, 0.2M Na Chloride, 0.1M Bis-Tris pH 5.6. Freezing condition: 25% PEG 3350, 0.2M Na Chloride, 0.1M Bis-Tris 7% Glyserol,7% EG, 7% Sucrose. Protein: 3.4 mg/mL, VAPOR DIFFUSION, HANGING DROP, temperature 295K