3BXP
CRYSTAL STRUCTURE OF A PUTATIVE CARBOXYLESTERASE (LP_2923) FROM LACTOBACILLUS PLANTARUM WCFS1 AT 1.70 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 | 2007-11-19 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97901 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.595, 94.222, 58.758 |
| Unit cell angles | 90.00, 107.47, 90.00 |
Refinement procedure
| Resolution | 28.433 - 1.700 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.19700 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.527 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.433 | 28.433 | 1.740 |
| High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
| Rmerge | 0.068 | 0.047 | 0.532 |
| Total number of observations | 4872 | 14541 | |
| Number of reflections | 59209 | ||
| <I/σ(I)> | 6.3 | 13.1 | 1.5 |
| Completeness [%] | 96.8 | 97.7 | 86.4 |
| Redundancy | 5 | 7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | NANODROP, 30.0% 1,2-propanediol, 20.0% PEG 400, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
