4F3R
Structure of phosphopantetheine adenylyltransferase (CBU_0288) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 103.965, 103.965, 89.862 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.020 - 2.250 |
| R-factor | 0.2113 |
| Rwork | 0.210 |
| R-free | 0.23643 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.146 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.092 | 0.820 |
| Number of reflections | 27253 | |
| <I/σ(I)> | 43.6 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.5 | 21.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M Tri-sodium citrate, 20% w/v PEG 3000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
