7W4V

Structure of the M. tuberculosis HtrA S413A mutant at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2020-11-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	108.360, 108.360, 62.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.280 - 2.700
R-factor	0.2136
Rwork	0.211
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ieo
RMSD bond length	0.003
RMSD bond angle	0.570
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.280	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	6951	719
<I/σ(I)>	7.2
Completeness [%]	92.6
Redundancy	2.1
CC(1/2)	0.969	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	298	0.1M HEPES, 1.5M Sodium Citrate tribasic dihydrate pH 7.5