5FHT

HtrA2 protease mutant V226K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	77
Detector technology	IMAGE PLATE
Collection date	2012-12-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	H 3
Unit cell lengths	86.010, 86.010, 126.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.570 - 1.950
R-factor	0.17743
Rwork	0.175
R-free	0.22753
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	poly-alanine model of 1LCY
RMSD bond length	0.019
RMSD bond angle	1.978
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.570
High resolution limit [Å]	1.950	1.950
Rmerge	0.116	0.405
Number of reflections	25396
<I/σ(I)>	7.4	3.1
Completeness [%]	99.6	99.5
Redundancy	4.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	MES, NaCl, KH2PO4, NaH2PO4