2O18
Crystal structure of a Thiamine biosynthesis lipoprotein apbE, NorthEast Strcutural Genomics target ER559
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9791, 0.9796,0.960 |
Spacegroup name | P 1 |
Unit cell lengths | 57.320, 70.653, 86.637 |
Unit cell angles | 75.76, 71.67, 69.46 |
Refinement procedure
Resolution | 49.740 - 2.200 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.28400 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.253 |
Number of reflections | 114432 | |
<I/σ(I)> | 12 | 9 |
Completeness [%] | 95.0 | 81.4 |
Redundancy | 1.9 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.15 | 298 | 0.1M PEG 1K, 0.2M LiBr, 0.1M MES, pH 6.15, VAPOR DIFFUSION, HANGING DROP, temperature 298K |