7S5I

Crystal structure of Aldose-6-phosphate reductase (Ald6PRase) from peach (Prunus persica) leaves

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.008
Spacegroup name	C 1 2 1
Unit cell lengths	178.360, 50.049, 82.506
Unit cell angles	90.00, 111.77, 90.00

Refinement procedure

Resolution	38.790 - 1.610
R-factor	0.1576
Rwork	0.157
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hqt
RMSD bond length	0.007
RMSD bond angle	0.877
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.640
High resolution limit [Å]	1.610	4.370	1.610
Rmerge	0.057	0.042	0.400
Rmeas	0.062	0.046	0.431
Rpim	0.023	0.018	0.159
Total number of observations	624800
Number of reflections	86724	4266	4277
<I/σ(I)>	11.6
Completeness [%]	99.0	93.5	98.5
Redundancy	7.2	6.4	7.1
CC(1/2)		0.997	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	0.1 M HEPES and 20% (w/v) PEG 8000