3ZUI
OMCI in complex with palmitoleic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2006-07-24 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.430, 51.890, 68.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.260 - 1.710 |
R-factor | 0.1981 |
Rwork | 0.197 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cm4 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.400 | 1.810 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.040 | 0.380 |
Number of reflections | 15720 | |
<I/σ(I)> | 21.7 | 2 |
Completeness [%] | 89.8 | 62.2 |
Redundancy | 3.8 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 30% PEG 4000, 0.2 M MGCL2, 0.1 M TRIS PH 8.5. |