3ZOF
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound benzene-1,4-diol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Collection date | 2012-06-24 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.524, 74.618, 77.743 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.850 - 2.150 |
R-factor | 0.19455 |
Rwork | 0.192 |
R-free | 0.24950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1usc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.526 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.100 | 0.590 |
Number of reflections | 20947 | |
<I/σ(I)> | 12.7 | 3.4 |
Completeness [%] | 99.0 | 96.8 |
Redundancy | 9.3 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MORPHEUS SCREEN D8 12.5% W/V PEG 1000, 12.5% W/V PEG 3350, 12.5% V/V MPD; 0.02 M OF EACH ALCOHOL; 0.1 M MOPS/HEPES-NA PH 7.5 |