3AK4
Crystal structure of NADH-dependent quinuclidinone reductase from agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-08-03 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.550, 127.300, 62.480 |
| Unit cell angles | 90.00, 110.40, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1geg |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.518 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 61144 | |
| <I/σ(I)> | 20.6 | 7.5 |
| Completeness [%] | 98.1 | 91.4 |
| Redundancy | 3.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 24% PEG3350, 100MM HEPES, 200MM AMMONIUM ACETATE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
