3BZW
Crystal structure of a putative lipase from Bacteroides thetaiotaomicron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.225, 107.548, 144.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.890 - 1.870 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.21500 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.110 | 0.374 |
| Number of reflections | 129551 | |
| <I/σ(I)> | 8.2 | 1 |
| Completeness [%] | 96.2 | 88.7 |
| Redundancy | 12.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate, 25% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
