4OZD
Crystal structure of PdSP15a
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 | 2010-04-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.558, 79.730, 232.294 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.141 - 2.950 |
R-factor | 0.2031 |
Rwork | 0.200 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.093 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.950 | 8.000 | 2.950 |
Rmerge | 0.106 | 0.060 | 0.749 |
Total number of observations | 128620 | ||
Number of reflections | 24313 | ||
<I/σ(I)> | 12.8 | ||
Completeness [%] | 97.7 | 92.4 | 99.7 |
Redundancy | 5.3 | 4.2 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 10 % PEG 6000, 0.1M MES pH 6 |