1ZUA
Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2005-05-03 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.00632 |
| Spacegroup name | P 61 |
| Unit cell lengths | 89.113, 89.113, 78.433 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.250 |
| R-factor | 0.13098 |
| Rwork | 0.130 |
| R-free | 0.15619 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1frb |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.094 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.050 | 1.300 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.056 | 0.400 |
| Number of reflections | 92151 | |
| <I/σ(I)> | 5 | 2 |
| Completeness [%] | 97.7 | 95 |
| Redundancy | 5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 6000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
