4DD5
Biosynthetic Thiolase (ThlA1) from Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 58.850, 107.411, 151.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.128 - 1.250 |
| R-factor | 0.11761 |
| Rwork | 0.117 |
| R-free | 0.13508 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.563 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.050 | 0.570 |
| Number of reflections | 131046 | |
| <I/σ(I)> | 23.4 | 2.2 |
| Completeness [%] | 99.7 | 96.8 |
| Redundancy | 5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1M NH4 Citrate, 0.1 M Bis-Tris, Propane, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
