5CPF
Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.010, 97.556, 184.711 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.778 - 3.409 |
R-factor | 0.1854 |
Rwork | 0.182 |
R-free | 0.24980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aq8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.374 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 3.400 |
Rmerge | 0.151 |
Number of reflections | 23298 |
<I/σ(I)> | 14 |
Completeness [%] | 100.0 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Sodium Malonate, PEG 3350 |