3L1K

SAD structure solution of proteinase K grown in potassium tellurate solution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-14
Detector	ADSC QUANTUM 210
Wavelength(s)	1.2398
Spacegroup name	P 43 21 2
Unit cell lengths	67.902, 67.902, 102.181
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.550
R-factor	0.12415
Rwork	0.123
R-free	0.14875
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.213
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0087)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.037	0.123
<I/σ(I)>	40	9.7
Completeness [%]	95.1	67.9
Redundancy	5.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Drop was 1 microL of protein solution (80 mg/mL in dH2O) and 1 microL of well solution (1 mL of saturated solution of K2TeO4. The cryo-solution consisted of 70% of the crystallization solution and 30% of ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 295K