7W4W

Structure of the M. tuberculosis HtrA K436A 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	2020-11-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	108.330, 108.330, 62.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.270 - 2.000
R-factor	0.1578
Rwork	0.143
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ieo
RMSD bond length	0.009
RMSD bond angle	0.865
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]	31.270	2.027
High resolution limit [Å]	2.000	2.000
Number of reflections	18498	1852
<I/σ(I)>	7.7
Completeness [%]	99.8
Redundancy	7.2
CC(1/2)	0.986	0.672

Crystallization Conditions

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