6JZY

Crystal structure of AAR with NADPH and stearyl in complex with ADO binding a long chain carbohydrate

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	2016-06-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.609, 71.248, 135.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.130 - 2.100
R-factor	0.1978
Rwork	0.196
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rc8
RMSD bond length	0.007
RMSD bond angle	0.990
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]	49.430	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.075	0.990
Rpim	0.020	0.280
Number of reflections	37640	3664
<I/σ(I)>	32
Completeness [%]	99.1
Redundancy	12.7
CC(1/2)		0.870

Crystallization Conditions

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