4IST
S177A 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 | 89.900, 107.403, 152.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.010 - 2.600 |
R-factor | 0.18807 |
Rwork | 0.184 |
R-free | 0.25566 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.797 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.080 | 0.480 |
Number of reflections | 41968 | |
<I/σ(I)> | 30 | 5.1 |
Completeness [%] | 97.1 | 100 |
Redundancy | 5.7 | 5.9 |
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 |