6P2L
Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 42.869, 119.096, 127.043 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.128 - 1.080 |
| R-factor | 0.1187 |
| Rwork | 0.118 |
| R-free | 0.13970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6mgl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.112 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.15_3448: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.100 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.073 | 0.825 |
| Rpim | 0.037 | 0.447 |
| Number of reflections | 274214 | 13277 |
| <I/σ(I)> | 25.9 | 1.7 |
| Completeness [%] | 98.3 | 96 |
| Redundancy | 4.5 | 4.1 |
| CC(1/2) | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1 M ammonium sulfate, 1 M sodium chloride, 0.1 M bis-Tris propane pH 7, xyloglucan mixture |
