7WUO
Unravelling structure of riboflavin synthase for designing of potential anti-bacterial drug
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-19 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.559, 130.632, 202.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.260 - 3.190 |
| R-factor | 0.2204 |
| Rwork | 0.218 |
| R-free | 0.26380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i8d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.615 |
| Data reduction software | HKL-3000 (v714n) |
| Data scaling software | HKL-3000 (v714n) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.260 |
| High resolution limit [Å] | 3.190 | 3.200 |
| Rmerge | 0.163 | 0.464 |
| Number of reflections | 13224 | 1259 |
| <I/σ(I)> | 9.2 | 2.9 |
| Completeness [%] | 97.4 | 99.9 |
| Redundancy | 4.4 | 4.6 |
| CC(1/2) | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 288.15 | 0.2 M Ammonium Sulfate, 0.1M MES monohydrate (pH 6.5), 10% w/v PEG MME 5000 |
