3BMW
Cyclodextrin glycosyl transferase from Thermoanerobacterium thermosulfurigenes EM1 mutant S77P complexed with a maltoheptaose inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.791, 96.582, 115.241 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.480 - 1.600 |
| R-factor | 0.14535 |
| Rwork | 0.144 |
| R-free | 0.16512 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1a47 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.076 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.3.0022) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.100 | 0.190 |
| Number of reflections | 102676 | |
| <I/σ(I)> | 11.6 | 3.6 |
| Completeness [%] | 94.2 | 72.7 |
| Redundancy | 3.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 20% Ammonium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
