7VGE

Structure of the PDZ deleted variant of HtrA2 protease (S306A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-12-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	82.880, 82.880, 395.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.530 - 4.000
R-factor	0.26859
Rwork	0.265
R-free	0.33642
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lcy
RMSD bond length	0.006
RMSD bond angle	1.497
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	4.100
High resolution limit [Å]	4.000	4.000
Number of reflections	11300	1441
<I/σ(I)>	4.36	1.27
Completeness [%]	90.7	90.9
Redundancy	4.24	3.78
CC(1/2)	0.967	0.251

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	0.5 M Sodium acetate trihydrate pH 6.0, 2.0 M Sodium formate, 3% glycerol