3U3D
Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.97 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 32.511, 103.328, 105.512 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.2264 |
| Rwork | 0.224 |
| R-free | 0.27610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jwp |
| RMSD bond length | 0.047 |
| RMSD bond angle | 2.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.149 | 0.076 | 0.753 |
| Number of reflections | 14365 | ||
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 98.5 | 98.1 | 97.2 |
| Redundancy | 8.2 | 7.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16% PEG 3350, 0.1M NaF, 7% Formamide, vapor diffusion, hanging drop, temperature 298K |
