4FB5

Crystal structure of a probable oxidoreduxtase protein

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	2012-03-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	87.342, 179.094, 127.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.610
R-factor	0.21008
Rwork	0.207
R-free	0.26636
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.806
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.101	0.460
Number of reflections	30554
<I/σ(I)>	13.7
Completeness [%]	99.4	99.3
Redundancy	14.7	15.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	0.49M Sodium phosphate monobasic, 0.91M Potassium phosphate dibasic, Sarcosine, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K