3E0F
Crystal structure of a putative metal-dependent phosphoesterase (bad_1165) from bifidobacterium adolescentis atcc 15703 at 2.40 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-26 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 65 |
Unit cell lengths | 102.460, 102.460, 54.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.579 - 2.400 |
R-factor | 0.152 |
Rwork | 0.149 |
R-free | 0.20700 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.470 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.579 | 29.579 | 2.490 |
High resolution limit [Å] | 2.400 | 5.140 | 2.400 |
Rmerge | 0.119 | 0.056 | 0.525 |
Number of reflections | 12857 | 2541 | 2601 |
<I/σ(I)> | 21.9 | 2.7 | |
Completeness [%] | 99.7 | 99.5 | 99.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.0200M CaCl2, 30.0000% MPD, 0.1M Acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |