7JOD

Crystal structure of BbKI complexed with Human Kallikrein 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	104.185, 104.185, 87.013
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.000 - 1.330
R-factor	0.114
Rwork	0.114
R-free	0.13250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8y 6dwf
RMSD bond length	0.013
RMSD bond angle	1.953
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.350
High resolution limit [Å]	1.330	1.330
Number of reflections	120718	4059
<I/σ(I)>	18.2
Completeness [%]	96.8	65.6
Redundancy	5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.4M Ammonium Sulfate, 2%PEG400, 10mM CdCl2