5IPF

Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 21 21 21
Unit cell lengths	59.953, 117.957, 139.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.996 - 2.800
R-factor	0.2344
Rwork	0.232
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hmp
RMSD bond length	0.002
RMSD bond angle	0.544
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.111	0.032	0.932
Number of reflections	24452
<I/σ(I)>	8.9	29.9	1.4
Completeness [%]	98.0	96.7	99.2
Redundancy	3.8	3.7	3.8
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 100mM MES/imidazole pH 6.5 30mM magnesium chloride, 30mM calcium chloride