5AJT

Crystal structure of ligand-free phosphoribohydrolase lonely guy from Claviceps purpurea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	I 1 2 1
Unit cell lengths	82.540, 83.170, 163.652
Unit cell angles	90.00, 94.03, 90.00

Refinement procedure

Resolution	46.471 - 2.430
R-factor	0.2163
Rwork	0.215
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a33
RMSD bond length	0.004
RMSD bond angle	1.114
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.470	2.530
High resolution limit [Å]	2.430	2.430
Rmerge	0.080	0.790
Number of reflections	41288
<I/σ(I)>	6.3	1.2
Completeness [%]	98.9	99.3
Redundancy	3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	100MM AMMONIUM TARTRATE, 100MM POTASSIUM SULFATE, 23% PEG3350, 17% GLYCEROL, 3% ETHYLENE GLYCOL