5TSQ

Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	I 2 2 2
Unit cell lengths	74.660, 94.080, 123.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.655 - 1.530
R-factor	0.1542
Rwork	0.153
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezr
RMSD bond length	0.011
RMSD bond angle	0.972
Data reduction software	MOSFLM (7.1.1)
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.2.08)
Refinement software	PHENIX (1.11rc2_2531)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.754	4.840	1.610
High resolution limit [Å]	1.530	3.420	1.530
Rmerge		0.047	0.431
Number of reflections	64501
<I/σ(I)>	6.9	10.9	0.7
Completeness [%]	98.5	100	90.8
Redundancy	4.3	5.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.2M Ammonium acetate, 0.1M HEPES pH 7.5 and 45% MPD