1TUV
Crystal structure of YgiN in complex with menadione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9788 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 102.562, 102.562, 102.562 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.650 - 1.700 |
R-factor | 0.20949 |
Rwork | 0.208 |
R-free | 0.24904 |
Structure solution method | direct input of native model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.000 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.770 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.070 | |
Number of reflections | 19783 | |
<I/σ(I)> | 50 | |
Completeness [%] | 100.0 | 99 |
Redundancy | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | sodium citrate, ammonium sulfate, sodium/potassium tartrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |