3GAE

Crystal Structure of PUL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-02
Detector	ADSC QUANTUM 4
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	64.588, 64.588, 115.798
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.181
Rwork	0.179
R-free	0.21500
Structure solution method	MIR
RMSD bond length	0.020
RMSD bond angle	1.756
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.051	0.386
Number of reflections	71191
<I/σ(I)>	22.68	2.3
Completeness [%]	99.8	98.8
Redundancy	3.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.1M sodium acetate (pH 5.6), 0.1M MgCl2, 26-28% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.1M sodium acetate (pH 5.6), 0.1M MgCl2, 26-28% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K