5CW1

Proteinase K complexed with 4-iodopyrazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-05-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	68.017, 68.017, 102.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.998 - 1.450
R-factor	0.1319
Rwork	0.131
R-free	0.15310
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.171
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_1988)

Data quality characteristics

	Overall
Low resolution limit [Å]	35.000
High resolution limit [Å]	1.450
Number of reflections	42913
<I/σ(I)>	55.7
Completeness [%]	99.5
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	100mM Tris pH7.2 and 1.28 M ammonium sulfate