4S1P
Shel_16390 protein, a putative SGNH hydrolase from Slackia heliotrinireducens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.591, 67.023, 71.544 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.300 - 1.450 |
R-factor | 0.1195 |
Rwork | 0.118 |
R-free | 0.15590 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.538 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.300 | 50.000 | 1.480 |
High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
Rmerge | 0.143 | 0.096 | 0.654 |
Number of reflections | 35098 | ||
<I/σ(I)> | 12.1 | 1.95 | |
Completeness [%] | 98.9 | 98.5 | 88.9 |
Redundancy | 6.2 | 6.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 0.1 M sodium acetate, 1.5 M lithium sulfate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |