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 |