5E7H

Crystal structure of domains CD (residues 230-489) of Bacova_02650

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 61 2 2
Unit cell lengths	87.090, 87.090, 201.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.690 - 1.570
R-factor	0.157
Rwork	0.156
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e7g
RMSD bond length	0.009
RMSD bond angle	1.182
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.690	1.630
High resolution limit [Å]	1.570	1.570
Rmerge		0.775
Number of reflections	62808
<I/σ(I)>	38.52
Completeness [%]	98.4	96.98
Redundancy	21.8	5.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	2M sodium formate, 0.1M sodium acetate