4HEH

Crystal structure of AppA SCHIC domain from Rb. sphaeroides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-02
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	54.044, 64.489, 56.772
Unit cell angles	90.00, 96.23, 90.00

Refinement procedure

Resolution	42.470 - 2.050
R-factor	0.1869
Rwork	0.182
R-free	0.23600
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.944
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AutoSol
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.050
Rmerge	0.049
Number of reflections	24533
<I/σ(I)>	34
Completeness [%]	99.8
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	25% PEG 3350, 0.1 M Bis-Tris, 0.1 M NaCl, 10% glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K