2RJT
Crystal Structure Analysis of a Surface Entropy Reduction Mutant of S. pneumoniae FabF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 112.417, 115.872, 278.923 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.900 - 1.750 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.332 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.059 | 0.049 | 0.475 |
| Number of reflections | 180912 | ||
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 99.6 | 99.5 | 97.9 |
| Redundancy | 4.8 | 7.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 5-12% PEG3350, 0.1M MES, 1% benzamidine-HCl, 10% ethylene glycol, 1mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
