4ISS
SeMet-substituted Kluyveromyces lactis Allophanate Hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.050, 107.720, 150.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.530 - 2.500 |
| R-factor | 0.17978 |
| Rwork | 0.176 |
| R-free | 0.24659 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.977 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SnB |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.093 | 0.432 |
| Number of reflections | 53061 | |
| <I/σ(I)> | 6.1 | 1.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 16% PEG8000, 20% glycerol, 0.04 M potassium phosphate monobasic, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
