1T6C
Structural characterization of the Ppx/GppA protein family: crystal structure of the Aquifex aeolicus family member
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.993 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.776, 70.287, 90.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.530 |
| R-factor | 0.162 |
| Rwork | 0.162 |
| R-free | 0.21700 |
| Structure solution method | Molecular replacement with partial model, followed by the Arp/Warp procedure. |
| Starting model (for MR) | A very incomplete model was obtained through experimental phasing and Arp/Warp tracing of the Type II crystal form |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.494 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.610 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.069 | 0.341 |
| Number of reflections | 47505 | |
| <I/σ(I)> | 22.8 | 2.2 |
| Completeness [%] | 95.8 | 84.6 |
| Redundancy | 6.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | MPD, MES, TRIS, KCl, DTT, The crystal was soaked in K2HgI4/KI containing solution, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
