7S5F

Crystal structure of mannose-6-phosphate reductase from celery (Apium graveolens) leaves with NADP+ and mannonic acid bound

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	152.202, 61.779, 148.063
Unit cell angles	90.00, 107.67, 90.00

Refinement procedure

Resolution	38.070 - 1.720
R-factor	0.1823
Rwork	0.181
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iki
RMSD bond length	0.005
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.720	1.720
Rmerge	0.081
Number of reflections	132086	6719
<I/σ(I)>	15	2.2
Completeness [%]	95.8
Redundancy	6
CC(1/2)	0.997	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	297	0.2 M ammonium formate, 20% (w/v) PEG 3500