5B2F
N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii complexed with its inhibitor MPG (phosphate-containing condition)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-11 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.821, 77.821, 229.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.460 - 1.900 |
| R-factor | 0.22033 |
| Rwork | 0.218 |
| R-free | 0.26988 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.986 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.490 |
| Number of reflections | 61101 | |
| <I/σ(I)> | 15.9 | 2.6 |
| Completeness [%] | 94.9 | 95.5 |
| Redundancy | 5.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.4 M ammonium phosphate |
