1NYT
SHIKIMATE DEHYDROGENASE AroE COMPLEXED WITH NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-02-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.87 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.524, 140.019, 102.712 |
| Unit cell angles | 90.00, 122.07, 90.00 |
Refinement procedure
| Resolution | 38.920 - 1.500 |
| R-factor | 0.13594 |
| Rwork | 0.132 |
| R-free | 0.16869 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.776 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.1.27) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.920 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.048 | 0.766 |
| Number of reflections | 196162 | |
| <I/σ(I)> | 18.8 | 1.56 |
| Completeness [%] | 93.1 | 86.7 |
| Redundancy | 5.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | 1.6M ammonium sulfate, 100mM cacodylate buffer, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
