1FMJ
CRYSTAL STRUCTURE OF MERCURY DERIVATIVE OF RETINOL DEHYDRATASE IN A COMPLEX WITH RETINOL AND PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 1999-12-10 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.429, 66.183, 83.336 |
| Unit cell angles | 90.00, 108.89, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| Rwork | 0.231 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fmj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 * | 0.227 * |
| Number of reflections | 48540 | |
| <I/σ(I)> | 19.5 | 6.58 |
| Completeness [%] | 88.1 | 84.6 |
| Redundancy | 2.95 | 2.34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 284 | Pakhomova, S., (2000) Acta Crystallogr.D56, 1641. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | PEG3350 | 80 (%) | |
| 3 | 1 | reservoir | 50 (mM) | ||
| 4 | 1 | reservoir | HEPES | 100 (mM) |
