2B9W
Crystal Structure of CLA-producing fatty acid isomerase from P. acnes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-12-08 |
| Detector | MARRESEARCH |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 160.419, 160.419, 160.419 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.870 - 1.950 |
| R-factor | 0.16543 |
| Rwork | 0.164 |
| R-free | 0.19045 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.436 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0013) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 49143 | |
| Completeness [%] | 98.4 | 78.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 283 | 2% PEG 400, 0.02M Bis-Tris, 2M lithium sulphate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
