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 |