5JUG
Structure of an inactive (E45Q) variant of a beta-1,4-mannanase, SsGH134, in complex with Man5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.707, 53.841, 82.636 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.110 - 0.960 |
| R-factor | 0.1227 |
| Rwork | 0.122 |
| R-free | 0.14133 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | alpha-helical fragment |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.668 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | ACORN |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.110 | 0.980 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmerge | 0.054 | 0.520 |
| Number of reflections | 84396 | |
| <I/σ(I)> | 12.4 | 1.1 |
| Completeness [%] | 84.1 | 29.2 |
| Redundancy | 5.9 | 2.5 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | The protein stock in the buffer of 20 mM sodium phosphate, pH7.2 and 200 mM NaCl is mixed 1:1 with the precipitant consist of 20 % PEG6000, 0.15-0.2 M CaCl2, and 0.1 M NaHEPES, pH 7.0 |
