Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2001-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.110, 139.460, 211.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dd8 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.130 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 0.190 |
Number of reflections | 117565 | |
Completeness [%] | 98.1 | 92.5 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | 1.9 M (NH4)2SO4, 2 % PEG400, 0.1 M BIS-TRIS PROPANE. 1 MICRO LITRE OF A 65 MILLI-MOLAR DODECANOYL-ACP WAS ADDED TO THE MOTHER LIQUOR OVER NIGHT OR LONGER RESULTING IN ENZYME-FATTY ACID COMPLEX FORMATION, pH 7.20 |