4C87
Esterase LpEst1 from Lactobacillus plantarum WCFS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | I 4 |
| Unit cell lengths | 168.340, 168.340, 184.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.234 - 2.650 |
| R-factor | 0.1508 |
| Rwork | 0.149 |
| R-free | 0.18250 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.049 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.110 | 0.590 |
| Number of reflections | 75273 | |
| <I/σ(I)> | 25.8 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.9 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1 M SODIUM MALONATE, 0.5 % (V/V) JEFFAMINE ED-2001, 100 MM HEPES PH 7.0, 5 MM DTT |
