5EUB

Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-31
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 3 2 1
Unit cell lengths	121.504, 121.504, 45.328
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.810
R-factor	0.1703
Rwork	0.169
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k27
RMSD bond length	0.009
RMSD bond angle	1.456
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP (11.3.02)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.091	0.059	0.738
Rmeas	0.099	0.062	0.809
Rpim	0.038	0.020	0.325
Total number of observations	209976
Number of reflections	35008
<I/σ(I)>	9.5		2.27
Completeness [%]	98.7	98.7	99.8
Redundancy	6	10.1	5.9
CC(1/2)		0.997	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Protein 15 mg/mL, Reservoir 0.2 M magnesium chloride, 20% (w/v) PEG 3350