5AYZ

CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE

Replaces:  4R3Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	109.186, 101.156, 151.643
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	44.140 - 2.600
R-factor	0.227
Rwork	0.226
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3LAR
RMSD bond length	0.018
RMSD bond angle	2.050
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.670
High resolution limit [Å]	2.600	2.600
Number of reflections	95727
<I/σ(I)>	8.4
Completeness [%]	99.2	94.1
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	10% PEG MME 2K, 0.01M POTASSIUM THIOCYANATE, PH 5.0, VAPOR DIFFUSION, TEMPERATURE 273.0K