1LWH
CRYSTAL STRUCTURE OF T. MARITIMA 4-ALPHA-GLUCANOTRANSFERASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.87 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 92.567, 180.282, 199.222 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.600 |
| Rwork | 0.224 |
| R-free | 0.27800 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.050 | 0.360 |
| Total number of observations | 247046 * | |
| Number of reflections | 45954 | |
| <I/σ(I)> | 22.5 | 2.5 |
| Completeness [%] | 89.0 | 63 |
| Redundancy | 5.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.5 | 290 | Roujeinikova, A., (2001) Acta Crystallogr., Sect.D, 57, 1046. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG5000 MME | 26-29 (%(w/v)) | |
| 2 | 1 | reservoir | ammonium sulfate | 200-300 (mM) | |
| 3 | 1 | reservoir | 3 (mM) | ||
| 4 | 1 | reservoir | MES | 80 (mM) | pH6.5 |
