3AOF
Crystal structures of Thermotoga maritima Cel5A in complex with Mannotriose substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.696, 77.946, 62.959 |
| Unit cell angles | 90.00, 97.16, 90.00 |
Refinement procedure
| Resolution | 24.373 - 1.288 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.18830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.006 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.6.3_473)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.340 |
| High resolution limit [Å] | 1.288 | 1.290 |
| Number of reflections | 147549 | |
| <I/σ(I)> | 43.3 | 6.3 |
| Completeness [%] | 97.5 | 95.7 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M tris pH8.5, 0.4M NaCl, 28% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
