3UT6
Crystal structure of E. Coli PNP complexed with PO4 and formycin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 120.769, 120.769, 239.082 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.596 - 1.895 |
| R-factor | 0.1635 |
| Rwork | 0.163 |
| R-free | 0.18710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.174 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.895 | 5.160 | 1.900 |
| Rmerge | 0.146 | 0.058 | |
| Number of reflections | 80026 | ||
| <I/σ(I)> | 5.4 | ||
| Completeness [%] | 99.5 | 97.4 | 100 |
| Redundancy | 8.8 | 7.4 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 5.2 | 291 | 50mM citrate buffer, 35% ammonium phosphate (w/v), pH 5.2, hanging drop, temperature 291K |
