6QLG

Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	102.000, 102.000, 276.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.700 - 2.150
R-factor	0.1622
Rwork	0.161
R-free	0.18250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.529
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.700	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.125
Number of reflections	80295
<I/σ(I)>	15.5
Completeness [%]	100.0
Redundancy	14.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	JCSG + D3 (Molecular Dimensions): 0.2 M NaCl, 0.1 M Na/K Phosphate pH 6.2, 30% v/v PEG200