4QB6
Structure of CBM35 in complex with aldouronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2014-03-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976250 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.780, 47.350, 103.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.510 - 1.350 |
| R-factor | 0.16505 |
| Rwork | 0.164 |
| R-free | 0.17736 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qb1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.577 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.485 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.084 | 0.427 |
| Number of reflections | 43659 | |
| <I/σ(I)> | 17.3 | 6.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.5 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG 6000, 0.2M Calcium chloride, 0.1M HEPES, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
