4QRI

2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine phosphoribosyltransferase from Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	74.647, 74.647, 162.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.770 - 2.350
R-factor	0.19044
Rwork	0.188
R-free	0.23235
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o7m
RMSD bond length	0.011
RMSD bond angle	1.613
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.062	0.631
Number of reflections	19969
<I/σ(I)>	31.7	3.4
Completeness [%]	99.9	100
Redundancy	7.5	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	protein: 7.4 mg/mL in 0.25 M NaCl 10 mM Tris-HCl pH 8.3 5 mM BME crystallization: The JCSG+ Suite H9 (93): 0.2 M LiSO4 0.1 BIS-TRIS 25% (w/v), VAPOR DIFFUSION, SITTING DROP, temperature 295K