4WY0
PdxS (G. stearothermophilus) co-crystallized with R5P in the presence of ammonia.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.680, 107.198, 178.215 |
| Unit cell angles | 90.00, 92.24, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.1929 |
| Rwork | 0.191 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1znn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.085 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.093 | 0.053 | 0.740 |
| Total number of observations | 608487 | ||
| Number of reflections | 158883 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 8000, Na cacodylate, ammonium citrate |
