3F1K

Crystal Structure of yciK from E. coli, an oxidoreductase, complexed with NADP+ at 2.6A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-01
Detector	MAR CCD 300 mm
Wavelength(s)	0.97887, 0.97864, 0.96860
Spacegroup name	P 32 2 1
Unit cell lengths	88.509, 88.509, 80.419
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.608 - 2.600
R-factor	0.216
Rwork	0.211
R-free	0.26100
Structure solution method	MAD, SAD
RMSD bond length	0.010
RMSD bond angle	1.416
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.250	44.250	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.114	0.096	0.424
Total number of observations		28232	27480
Number of reflections	12975
<I/σ(I)>	16.6	28.5	6.3
Completeness [%]	99.9	99.4	100
Redundancy	21.76	19.49	21.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M Sodium Acetate monohydrate pH 4.6, 8% w/v polyethylene glycol 4000, vapor diffusion, hanging drop, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M Sodium Acetate monohydrate pH 4.6, 8% w/v polyethylene glycol 4000, vapor diffusion, hanging drop, temperature 295K