3B00
Crystal structure of the laminarinase catalytic domain from Thermotoga maritima MSB8 in complex with cetyltrimethylammonium bromide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-28 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 43 |
| Unit cell lengths | 120.323, 120.323, 107.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.300 - 1.740 |
| R-factor | 0.15444 |
| Rwork | 0.153 |
| R-free | 0.18408 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3azy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.380 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.143 | 0.488 |
| Number of reflections | 155608 | |
| <I/σ(I)> | 13.1 | 5.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.4 |
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 |
