3VZ2

Structural insights into substrate and cofactor selection by sp2771

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	2012-06-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	46.928, 116.963, 180.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.120 - 2.500
R-factor	0.18002
Rwork	0.177
R-free	0.23658
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jz4
RMSD bond length	0.015
RMSD bond angle	1.617
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	32970
Completeness [%]	100.0	100
Redundancy	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	PEG 5000 MME, Tascimate, HEPES, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K