3PF8
Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-12-15 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 149.899, 149.899, 130.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.490 - 2.340 |
| R-factor | 0.2271 |
| Rwork | 0.223 |
| R-free | 0.29920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 2WTN poly-alanine model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Number of reflections | 23389 | ||
| <I/σ(I)> | 13.44 | 18.64 | 4.81 |
| Completeness [%] | 99.0 | 96.3 | 100 |
| Redundancy | 6.1 | 6.3 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1 M MES pH 6, 20% PEG10K, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
