6JZQ

The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR)

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	2017-04-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	92.167, 201.442, 124.580
Unit cell angles	90.00, 105.90, 90.00

Refinement procedure

Resolution	46.111 - 2.798
R-factor	0.2191
Rwork	0.218
R-free	0.25400
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.483
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.111	2.900
High resolution limit [Å]	2.798	2.800
Rmerge	0.086	0.800
Rpim	0.030	0.300
Number of reflections	53286	5161
<I/σ(I)>	23.6
Completeness [%]	99.5
Redundancy	7.6
CC(1/2)		0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	0.1M Tris-HCl, pH8.5, 1.2M NaAc