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 |