2DUK
Crystal structure of MS0616
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-07 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.891, 41.448, 189.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.620 |
R-factor | 0.24871 |
Rwork | 0.247 |
R-free | 0.28747 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fvv |
RMSD bond length | 0.013 |
RMSD bond angle | 1.513 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.181 | 0.379 |
Number of reflections | 9612 | |
<I/σ(I)> | 8.46597 | 2.44845 |
Completeness [%] | 93.2 | 66.62 |
Redundancy | 4.33854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.0M Ammonium Sulphate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |