1T6D
MIRAS phasing of the Aquifex aeolicus Ppx/GppA phosphatase: crystal structure of the type II variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.461, 83.565, 69.764 |
| Unit cell angles | 90.00, 97.39, 90.00 |
Refinement procedure
| Resolution | 29.060 - 2.150 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25500 |
| Structure solution method | Partial model produced by MIRAS phasing |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.076 | 0.287 |
| Number of reflections | 66436 | |
| <I/σ(I)> | 23.3 | 8.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG4000, PEG400, TRIS, acetic acid, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
