4P5D

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-03-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 61 2 2
Unit cell lengths	178.200, 178.200, 56.922
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.165 - 2.110
R-factor	0.1757
Rwork	0.175
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fyi
RMSD bond length	0.009
RMSD bond angle	1.430
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP (10.2.31)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.590	2.220
High resolution limit [Å]	2.109	2.110
Rmerge	0.066	0.540
Number of reflections	31129
<I/σ(I)>	15.9	3.9
Completeness [%]	99.4
Redundancy	6.5	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	1.3 M LITHIUM SULFATE, 1% PEG2K, 20 MM MAGNESIUM SULFATE, 100 MM TRIS, PH 8.0