1LWJ
CRYSTAL STRUCTURE OF T. MARITIMA 4-ALPHA-GLUCANOTRANSFERASE/ACARBOSE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 94.542, 181.354, 197.317 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.500 |
| Rwork | 0.225 |
| R-free | 0.30200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lwh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.110 | 0.220 |
| Number of reflections | 39305 | |
| <I/σ(I)> | 12.1 | 5.4 |
| Completeness [%] | 67.0 | 25 |
| Redundancy | 4.8 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 26-29% PEG 5000, 200-300 mM Ammonium Sulphate, 3 mM CaCl2, 80 mM MES, 40 mM acarbose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
