4OKI
X-ray structure of the nucleotide-binding subdomain of the enoylreductase domain of PpsC from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-30 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.885, 78.743, 88.796 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.000 - 1.500 |
R-factor | 0.1838 |
Rwork | 0.182 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.511 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 1.480 | ||
High resolution limit [Å] | 1.400 | 4.190 | 1.400 |
Rmerge | 0.031 | 0.013 | 0.013 |
Number of reflections | 67717 | 2676 | 5298 |
<I/σ(I)> | 16.82 | 44.51 | 0.51 |
Completeness [%] | 81.3 | 79.5 | 39.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 285 | 10% MPD, MES 0.1 M pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K |