1RPN
Crystal Structure of GDP-D-mannose 4,6-dehydratase in complexes with GDP and NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 125.730, 125.730, 220.025 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 * |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.19500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n7h |
| RMSD bond length | 0.005 |
| RMSD bond angle | 23.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.230 |
| High resolution limit [Å] | 2.200 * | 2.150 |
| Rmerge | 0.039 * | 0.076 * |
| Number of reflections | 108095 | |
| <I/σ(I)> | 20 | |
| Completeness [%] | 98.3 | 92.8 |
| Redundancy | 5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | MPD, Tris, ammonium phosphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MPD | 50 (%) | |
| 2 | 1 | reservoir | Tris | 100 (mM) | pH8.5 |
| 3 | 1 | reservoir | 200 (mM) | ||
| 4 | 1 | drop | Tris | 20 (mM) | pH8.5 |
| 5 | 1 | drop | 1 (mM) | ||
| 6 | 1 | drop | protein | 10 (mM) |
