3NED
mRouge
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-28 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.807, 42.760, 61.203 |
Unit cell angles | 90.00, 112.35, 90.00 |
Refinement procedure
Resolution | 56.600 - 0.950 |
R-factor | 0.1346 |
Rwork | 0.133 |
R-free | 0.15691 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.026 |
RMSD bond angle | 2.431 |
Data reduction software | iMOSFLM |
Phasing software | ACORN |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 56.700 |
High resolution limit [Å] | 0.950 |
Rmerge | 0.121 |
Number of reflections | 135356 |
<I/σ(I)> | 9.7 |
Completeness [%] | 91.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 200 mM ammonium acetate, 100 mM Bis-Tris, pH 6.5, and 25% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |