3ZOE
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound p-hydroxybenzaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-30 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.660, 74.910, 77.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.460 - 1.850 |
R-factor | 0.24381 |
Rwork | 0.242 |
R-free | 0.27771 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1usc |
RMSD bond length | 0.015 |
RMSD bond angle | 1.755 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.500 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.070 | 0.480 |
Number of reflections | 39042 | |
<I/σ(I)> | 16 | 3.3 |
Completeness [%] | 92.7 | 96 |
Redundancy | 5.9 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MORPHEUS SCREEN H5 10% W/V PEG 20 000, 20% V/V PEG MME 550; 0.02 M OF EACH AMINO ACID; 0.1 M MOPS/HEPES-NA PH 7.5 |