4RI0

Serine Protease HtrA3, mutationally inactivated

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	118.981, 118.981, 167.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.758 - 3.272
R-factor	0.201
Rwork	0.199
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nzi
RMSD bond length	0.003
RMSD bond angle	0.829
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.760	50.000	3.330
High resolution limit [Å]	3.270	8.860	3.270
Rmerge	0.085	0.028	0.855
Number of reflections	18953
<I/σ(I)>	8.7		2.72
Completeness [%]	98.4	92.5	99.8
Redundancy	9.6	8.7	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	1 M potassium/sodium phosphate buffer, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K