6JZZ

The crystal structure of AAR-C294S in complex with ADO.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.527, 72.335, 137.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.655 - 3.011
R-factor	0.2129
Rwork	0.207
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rc8
RMSD bond length	0.011
RMSD bond angle	1.322
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.660	3.120
High resolution limit [Å]	3.010	3.010
Rmerge	0.089
Rpim	0.030	0.400
Number of reflections	13663	1332
<I/σ(I)>	27.4
Completeness [%]	99.9
Redundancy	14
CC(1/2)		0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	0.1M HEPES, pH 7.5, 20% PEG 8000