3UI6
0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.82656 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.240, 47.020, 51.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.840 - 0.890 |
R-factor | 0.1034 |
Rwork | 0.103 |
R-free | 0.11590 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.027 |
RMSD bond angle | 3.017 |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.6.0077) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 0.990 | ||
High resolution limit [Å] | 0.890 | 25.000 | 0.890 |
Rmerge | 0.061 | 0.018 | 0.202 |
Number of reflections | 64302 | 4 | 16991 |
<I/σ(I)> | 20.91 | 25.31 | 8.9 |
Completeness [%] | 99.2 | 100 | 97.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 298 | 0.1 M Tris, 2.5 M (NH4)2SO4, 3-20 mM Ala-Pro, pH 8.0, vapor diffusion, temperature 298K |