1KGS
Crystal Structure at 1.50 A of an OmpR/PhoB Homolog from Thermotoga maritima
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9640, 0.9796, 0.9797 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.570, 71.267, 54.605 |
| Unit cell angles | 90.00, 106.56, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.20984 |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.650 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.570 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.052 | 0.139 |
| Number of reflections | 40466 | 5891 * |
| <I/σ(I)> | 7.5 | 5 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | matrix screening kits * | 6.5 | 295 | Protein at 12-25 mg/ml in 0.0125 M tris(hydroxymethyl)amino methane (TRIS) pH 8.0, 0.50 M NaCl; precipitating solution: 20% (w/v) PEG 3350, 0.10 M 2-(N-Morpholino)ethanesulfonic acid (MES) pH 6.5, 0.20 M potassium thiocyanate (KSCN), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | MES | 100 (mM) | pH6.5 |
| 2 | 1 | 1 | PEG3350 | 10 (%) | |
| 3 | 1 | 1 | KSCN | 200 (mM) |
