7W22

Structure of the M. tuberculosis HtrA K436A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-09-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	107.080, 107.080, 61.861
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.770 - 2.010
R-factor	0.2284
Rwork	0.227
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ieo
RMSD bond length	0.003
RMSD bond angle	0.562
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]	26.770	2.082
High resolution limit [Å]	2.010	2.010
Number of reflections	17605	17605
<I/σ(I)>	11.2
Completeness [%]	100.0
Redundancy	5
CC(1/2)	0.990	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	298	0.1M HEPES, 1.3M Sodium Citrate tribasic dihydrate pH 7.5