4N6E

Crystal structure of Amycolatopsis orientalis BexX/CysO complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	I 4 2 2
Unit cell lengths	106.362, 106.362, 181.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.060 - 2.600
R-factor	0.2001
Rwork	0.196
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.231
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.145	0.061	0.475
Number of reflections	16381
<I/σ(I)>	5.1
Completeness [%]	99.6	97.4	99.8
Redundancy	5.9	5.4	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	28% PEG4000, 0.1 M Tris, pH 8.0, 0.2 M Lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K