3OZC

Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pCl-phenylthioDADMeImmA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-10
Wavelength(s)	1.0809
Spacegroup name	P 3 2 1
Unit cell lengths	123.252, 123.252, 44.879
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.930
R-factor	0.1318
Rwork	0.131
R-free	0.15410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.459
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.930	4.160	1.930
Rmerge	0.077	0.047	0.376
Number of reflections	29552
<I/σ(I)>	11.1
Completeness [%]	99.5	99.7	94.8
Redundancy	7.2	7.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	291	0.2M NaCl, 0.1M phosphate buffer, 10% PEG 8000, pH 6.2, vapor diffusion, sitting drop, temperature 291K