4P5E

CRYSTAL STRUCTURE OF HUMAN DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-21
Detector	PSI PILATUS 6M
Wavelength(s)	0.8103
Spacegroup name	P 1 21 1
Unit cell lengths	48.974, 52.284, 54.454
Unit cell angles	90.00, 104.77, 90.00

Refinement procedure

Resolution	47.357 - 1.350
R-factor	0.1563
Rwork	0.155
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fyi
RMSD bond length	0.009
RMSD bond angle	1.311
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.360	1.420
High resolution limit [Å]	1.350	1.350
Rmerge	0.081	0.490
Number of reflections	58489
<I/σ(I)>	9.5	2.6
Completeness [%]	100.0	100
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	20% PEG3K, 200 MM CALCIUM ACETATE, 100 MM TRIS, PH 7.0