6IGS

Crystal structure of HPRT from F. tularensis with Zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	78.764, 90.193, 113.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.240 - 2.160
R-factor	0.1849
Rwork	0.183
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ohp
RMSD bond length	0.017
RMSD bond angle	1.860
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	37.240	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.091	0.040	1.037
Rmeas	0.101	0.043	1.160
Rpim	0.042	0.017	0.513
Number of reflections	44059	2400	2183
<I/σ(I)>	10.3		2.25
Completeness [%]	99.6	99.6	100
Redundancy	5.8	6.6	5.2
CC(1/2)		0.997	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	25% PEG 3350, 0.2M lithium sulphate pH 7.0, 5mM ZnCl2