7W4S

Structure of the M. tuberculosis HtrA S363A 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	2020-11-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	109.000, 109.000, 63.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.780 - 2.600
R-factor	0.1925
Rwork	0.191
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ieo
RMSD bond length	0.003
RMSD bond angle	0.597
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]	37.780	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	8555	859
<I/σ(I)>	6.7
Completeness [%]	99.6
Redundancy	2.5
CC(1/2)	0.980	0.211

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	298	0.1M HEPES, 1.4M Sodium Citrate tribasic dihydrate pH 7.2