5FQU
Orthorhombic crystal structure of of PlpD (selenomethionine derivative)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-16 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.743, 113.393, 130.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.570 - 2.740 |
R-factor | 0.19805 |
Rwork | 0.196 |
R-free | 0.23801 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.416 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | autoSHARP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.580 | 2.900 |
High resolution limit [Å] | 2.740 | 2.740 |
Number of reflections | 19015 | |
<I/σ(I)> | 10.42 | 2.81 |
Completeness [%] | 99.5 | 96.5 |
Redundancy | 4.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20%W/V PEG3350, 200MM SODIUM NITRATE, 0.6% N-DODECYL-BETA-D MALTOSIDE |