4KGA

Crystal structure of kallikrein-related peptidase 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95368
Spacegroup name	P 4
Unit cell lengths	99.308, 99.308, 41.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.654 - 2.320
R-factor	0.2222
Rwork	0.220
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bdg
RMSD bond length	0.003
RMSD bond angle	0.905
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.220	70.220	2.450
High resolution limit [Å]	2.320	7.340	2.320
Rmerge	0.096	0.048	0.791
Number of reflections	17693
<I/σ(I)>	12.9	36.5	2.1
Completeness [%]	100.0	99.9	100
Redundancy	7	6.3	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	10mM NiCl2, 100mM Tris, 20% PEG2000 , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K