3AZZ
Crystal structure of the laminarinase catalytic domain from Thermotoga maritima MSB8 in complex with gluconolactone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.990, 120.232, 120.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.400 - 1.810 |
| R-factor | 0.17126 |
| Rwork | 0.170 |
| R-free | 0.20018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3azx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.415 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.890 |
| High resolution limit [Å] | 1.810 | 1.820 |
| Rmerge | 0.060 | 0.576 |
| Number of reflections | 140042 | |
| <I/σ(I)> | 29.2 | 3.2 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 6.6 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 41-46% (w/v) polypropylenglycol P400, 0.05-0.2M (NH4)2SO4, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
