2IZ1
6PDH complexed with PEX inhibitor synchrotron data
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-16 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.069, 104.879, 240.542 |
| Unit cell angles | 90.00, 98.31, 90.00 |
Refinement procedure
| Resolution | 34.080 - 2.300 |
| R-factor | 0.14 |
| Rwork | 0.137 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.234 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.130 |
| Number of reflections | 73076 | |
| <I/σ(I)> | 33 | 11.2 |
| Completeness [%] | 95.0 | 68 |
| Redundancy | 6.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 25% PEG 3350, 0.1M SODIUM CACODYLATE 6.5, 300MM AMMONIUM ACETATE, pH 7.20 |
