2ESS
Crystal structure of an acyl-ACP thioesterase (NP_810988.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000, 0.9796 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 91.150, 91.150, 64.770 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.16834 |
Rwork | 0.166 |
R-free | 0.20600 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.542 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 50.000 | 1.950 |
High resolution limit [Å] | 1.900 | 4.580 | 1.900 |
Rmerge | 0.096 | 0.040 | 0.096 |
Number of reflections | 24794 | ||
<I/σ(I)> | 10.5 | 1.7 | |
Completeness [%] | 99.9 | 100 | |
Redundancy | 5.3 | 5.2 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 4.6 | 277 | 30.0% MPD, 0.2M NaCl, 0.1M Acetate, pH 4.6 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |