2BBC
Structure of Cobalamin-complexed Bovine Transcobalamin in trigonal crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 99.570, 99.570, 128.631 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.205 |
Rwork | 0.204 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Structure of Bovine Transcobalamin in monoclinic crystal form (PDB 2BB6). |
RMSD bond length | 0.013 |
RMSD bond angle | 1.543 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.054 | 0.607 |
Number of reflections | 29142 | |
<I/σ(I)> | 24.3 | 2.1 |
Completeness [%] | 99.0 | 98.7 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 28% PEG 8000, 0.2M magnesium acetate, 20% 2-methyl-2,4-pentadiol, 0.1M TRIS 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |