5KXV

Structure Proteinase K at 0.98 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-04-12
Detector	RIGAKU RAXIS V
Wavelength(s)	0.8
Spacegroup name	P 43 21 2
Unit cell lengths	67.577, 67.577, 107.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.894 - 0.980
R-factor	0.1009
Rwork	0.100
R-free	0.11400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b5l
RMSD bond length	0.006
RMSD bond angle	0.967
Data scaling software	HKL-2000
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.000
High resolution limit [Å]	0.980	0.980
Rmerge	0.076	0.489
Number of reflections	141433
<I/σ(I)>	58.41	6.47
Completeness [%]	99.5	99.2
Redundancy	10.7	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	250 mM NaNO3, 50 mM CaCl2, 50 mM MES-NaOH