3BBJ
CRYSTAL STRUCTURE OF A PUTATIVE THIOESTERASE II (TFU_2367) FROM THERMOBIFIDA FUSCA YX AT 2.45 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000, 0.9796, 0.9794 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.818, 103.654, 54.734 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.393 - 2.160 |
R-factor | 0.184 |
Rwork | 0.181 |
R-free | 0.24300 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.408 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.393 | 48.393 | 2.230 |
High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
Rmerge | 0.067 | 0.034 | 0.241 |
Number of reflections | 22595 | ||
<I/σ(I)> | 11.7 | ||
Completeness [%] | 73.1 | 99.2 | 26.2 |
Redundancy | 3.4 | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | NANODROP, 22.2% PEG 3350, 0.171M Sodium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |