1W25
Response regulator PleD in complex with c-diGMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 135.870, 135.870, 169.247 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.23900 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 * |
| Data scaling software | TRUNCATE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0001) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.860 | 2.720 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.083 * | 0.360 |
| Number of reflections | 42707 * | |
| <I/σ(I)> | 16.42 | 2.96 |
| Completeness [%] | 99.3 | 98.7 |
| Redundancy | 5.7 | 5.5 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | CRYSTALS WERE OBTAINED AT ROOM TEMPERATURE BY HANGING DROP VAPOUR DIFFUSION. FOR THIS, PLED AT A NOMINAL CONCENTRATION OF 10 MG/ML IN 20 MM TRIS-HCL (PH 8.0), 100 MM NACL, 1 MM DTT, 2 MM MGCL2 AND 0.8 MM C-DIGMP6 WAS MIXED WITH THE RESERVOIR (1.0 M GLYCINE PH 9.2, 2 % DIOXANE, 14.5 % POLYETHYLENE GLYCOL 20K) AT A RATIO 1 TO 1. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PleD | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | 2 (mM) | ||
| 6 | 1 | drop | c-diGMP | 0.8 (mM) | |
| 7 | 1 | reservoir | glycine | 1.0 (M) | pH9.2 |
| 8 | 1 | reservoir | dioxane | 2 (%) | |
| 9 | 1 | reservoir | PEG20000 | 14.5 (%) |
