6R3U
Endo-levanase BT1760 mutant E221A from Bacteroides thetaiotaomicron complexed with levantetraose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 78.114, 112.334, 174.135 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.210 - 1.900 |
| Rwork | 0.161 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6r3r |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.033 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (1.15rc3_3435) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.210 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.084 | 1.129 |
| Rmeas | 0.090 | 1.208 |
| Rpim | 0.032 | 0.424 |
| Number of reflections | 60697 | 5956 |
| <I/σ(I)> | 15.6 | 1.9 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 7.8 | 7.9 |
| CC(1/2) | 0.999 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 16 mg/ml protein; 12-14% (w/v) PEG 6000, 0.5 mM ZnCl2, 0.1 M MES-NaOH, pH 6.5; 2:1 ratio |
