6YPF

NUDIX1 hydrolase from Rosa x hybrida in complex with geranyl pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	90
Detector technology	PIXEL
Collection date	2015-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	49.287, 49.287, 104.286
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.680 - 1.450
R-factor	0.208
Rwork	0.207
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kyx
RMSD bond length	0.012
RMSD bond angle	1.014
Data reduction software	DIALS (1.14.12)
Data scaling software	DIALS (1.14.12)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.290	1.502
High resolution limit [Å]	1.450	1.450
Rmerge	0.056	0.056
Rpim	0.029	0.029
Number of reflections	26639	2589
<I/σ(I)>	10.66	0.69
Completeness [%]	99.5	98.69
Redundancy	4.4	4.1
CC(1/2)	0.997	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	200 mM ammonium sulfate, 100 mM sodium acetate , 25% PEG400, 5mM GPP (soaking 1s)