3RE3
Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase from Francisella tularensis
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 63 |
| Unit cell lengths | 96.116, 96.116, 155.308 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.619 - 2.645 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22700 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.144 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 23681 | |
| <I/σ(I)> | 7.7 | 2.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.2 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.1 M Na2HPO4/KH2PO4 pH 6.2, 35% (v/v) MPD, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
