4BGE
Crystal structure of InhA(S94A) mutant in complex with pyridomycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Collection date | 2012-12-16 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.601, 83.049, 190.682 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 47.500 - 2.250 |
| R-factor | 0.2417 |
| Rwork | 0.240 |
| R-free | 0.27780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dti |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmeas | 0.141 | 0.592 |
| Number of reflections | 140935 | |
| <I/σ(I)> | 8.5 | 2.6 |
| Completeness [%] | 96.2 | 91.7 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
