7W23
Structure of the M. tuberculosis HtrA S363A 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 | 2020-07-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 107.180, 107.180, 61.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.790 - 1.900 |
R-factor | 0.1985 |
Rwork | 0.172 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ieo |
RMSD bond length | 0.004 |
RMSD bond angle | 0.715 |
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] | 26.790 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 20851 | 2090 |
<I/σ(I)> | 9.2 | |
Completeness [%] | 100.0 | |
Redundancy | 4.1 | |
CC(1/2) | 0.990 | 0.650 |
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 |