4HAD

Crystal structure of probable oxidoreductase protein from Rhizobium etli CFN 42

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	2012-09-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	45.662, 160.081, 192.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.010 - 2.000
R-factor	0.1763
Rwork	0.175
R-free	0.20560
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.248
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.132	0.047	0.868
Number of reflections	180659
<I/σ(I)>	7
Completeness [%]	98.3	99.9	97.3
Redundancy	3.4	3.9	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	0.17M ammonium acetate, 0.085 M sodium citrate-HCl, pH 5.6, 25.5% PEG4000, 15% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K