2DB0
Crystal structure of PH0542
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9790, 0.9797, 0.9670 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.795, 90.779, 66.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.20815 |
| Rwork | 0.205 |
| R-free | 0.26801 |
| Structure solution method | MAD |
| RMSD bond length | 0.049 |
| RMSD bond angle | 2.897 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 24884 | |
| <I/σ(I)> | 17 | 4.6 |
| Completeness [%] | 99.3 | 98.8 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG3350, 0.2M ammonium acetate, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
