2VF3
Aquifex aeolicus IspE in complex with ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-17 |
Detector | MARRESEARCH |
Spacegroup name | P 21 3 |
Unit cell lengths | 137.318, 137.318, 137.318 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 97.130 - 2.200 |
R-factor | 0.23 |
Rwork | 0.227 |
R-free | 0.27600 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.585 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.690 |
Number of reflections | 43998 | |
<I/σ(I)> | 19.4 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.2 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |