1SH8
1.5 A Crystal Structure of a Protein of Unknown Function PA5026 from Pseudomonas aeruginosa, Probable Thioesterase
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-08 |
Detector | SBC-2 |
Wavelength(s) | 0.9795,0.9797,0.94656 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.608, 72.231, 91.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.240 - 1.500 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.21700 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.065 | 0.387 |
Number of reflections | 109285 | |
<I/σ(I)> | 21.25 | 1.98 |
Completeness [%] | 95.0 | 64.4 |
Redundancy | 4.97 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | NaForm 2M, 0.1M NaAcet. 2%MPD, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |