7W4U

Structure of the M. tuberculosis HtrA S407A 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	2020-11-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	108.620, 108.620, 62.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.670 - 2.300
R-factor	0.1967
Rwork	0.189
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ieo
RMSD bond length	0.007
RMSD bond angle	0.991
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]	37.670	2.383
High resolution limit [Å]	2.300	2.300
Number of reflections	11713	1222
<I/σ(I)>	3.9
Completeness [%]	94.9
Redundancy	3.4
CC(1/2)	0.974	0.324

Crystallization Conditions

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