4Q34
Crystal structure of a putative esterase (BDI_1566) from Parabacteroides distasonis ATCC 8503 at 1.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97895,0.97843 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.327, 59.327, 209.591 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.663 - 1.600 |
R-factor | 0.1572 |
Rwork | 0.156 |
R-free | 0.18690 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.513 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.663 | 29.660 | 1.660 |
High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
Rmerge | 0.067 | 0.025 | 1.253 |
Number of reflections | 50356 | 9360 | 9621 |
<I/σ(I)> | 13.42 | 46.2 | 1.33 |
Completeness [%] | 98.5 | 98 | 98.1 |
Redundancy | 7.72 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 1.00M lithium chloride, 20.00% polyethylene glycol 6000, 0.1M citric acid pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |