7R1L
Clostridium thermocellum CtCBM50 structure in complex with beta-1,4-GlcNAc trisaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-09 |
| Detector | PSI JUNGFRAU 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.390, 41.770, 42.870 |
| Unit cell angles | 90.00, 96.90, 90.00 |
Refinement procedure
| Resolution | 49.340 - 1.450 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.20130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k2l |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.726 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.340 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.048 | 0.735 |
| Rpim | 0.025 | 0.468 |
| Number of reflections | 30139 | 1427 |
| <I/σ(I)> | 20.9 | |
| Completeness [%] | 97.1 | 91.7 |
| Redundancy | 8.6 | 6.8 |
| CC(1/2) | 1.000 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293.15 | 0.1 M sodium acetate buffer pH 4.6, 2 M ammonium sulphate |
