5YCX
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with c-terminal His tag (Apo form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 80.273, 83.513, 69.023 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.727 - 1.701 |
R-factor | 0.1889 |
Rwork | 0.187 |
R-free | 0.22130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qio |
RMSD bond length | 0.007 |
RMSD bond angle | 0.992 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.063 | 0.431 |
Rpim | 0.027 | 0.172 |
Number of reflections | 25641 | 1235 |
<I/σ(I)> | 38.2 | 6.9 |
Completeness [%] | 99.5 | 100 |
Redundancy | 6.9 | 7.3 |
CC(1/2) | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1M Tris-HCl, pH 8.5, 30% PEG4K, 0.2M MgCl2 |