2CY0
Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Thermus Thermophilus HB8 in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.078, 72.020, 113.407 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.150 - 1.900 |
| R-factor | 0.2143 |
| Rwork | 0.214 |
| R-free | 0.25170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wxd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.150 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.468 |
| Number of reflections | 39285 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 96.3 | 87.5 |
| Redundancy | 4.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 295 | Ammonium sulfate, Sodium Acetate trihydrate, PEG4000, pH 4.6, microbatch, temperature 295K |
