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 |
