4C89
Crystal structure of carboxylesterase LpEst1 from Lactobacillus plantarum: high resolution model
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | I 4 |
| Unit cell lengths | 168.790, 168.790, 184.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.376 - 2.050 |
| R-factor | 0.1238 |
| Rwork | 0.122 |
| R-free | 0.14250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.025 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.140 | 0.700 |
| Number of reflections | 161172 | |
| <I/σ(I)> | 10.1 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.5 |
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 |
