5VN4

Crystal structure of adenine phosphoribosyl transferase from Trypanosoma brucei in complex with AMP, pyrophosphate, and ribose-5-phosphate

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	2017-03-15
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	72.840, 72.850, 85.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.350
R-factor	0.144
Rwork	0.143
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qb7
RMSD bond length	0.005
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((dev_2744))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.040	0.023	0.551
Rmeas	0.045	0.026	0.620
Number of reflections	100141	1191	7338
<I/σ(I)>	20.54	55.01	2.52
Completeness [%]	99.7	95	100
Redundancy	4.877	4.463	4.821
CC(1/2)	0.999	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	MCSG1 H10 (289135h10): 25% PEG3350, 100mM HEPES:NaOH, pH 7.5, 5mM AMP, 5mM pyrophosphate, protein conc. 23.85mg/mL, cryo 25% ethylene glycol: unique puck ID: xhs1-4