6YPB

NUDIX1 hydrolase from Rosa x hybrida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	48.674, 48.674, 103.132
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.020 - 1.700
R-factor	0.2119
Rwork	0.208
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kyx
RMSD bond length	0.006
RMSD bond angle	0.831
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]	39.020	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.208	1.799
Rpim	0.065	0.065
Number of reflections	16180	1581
<I/σ(I)>	7.91	0.96
Completeness [%]	99.8	99.56
Redundancy	11.1	11.4
CC(1/2)	0.996	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	283	200 mM ammonium sulfate, 100 mM sodium acetate , 25% PEG400