3KBC
Crystal structure of GltPh K55C-A364C mutant crosslinked with divalent mercury
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 113.142, 206.780, 205.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 3.510 |
R-factor | 0.267 |
Rwork | 0.267 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nwx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.288 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.630 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.118 | |
Number of reflections | 29928 | |
<I/σ(I)> | 6.1 | |
Completeness [%] | 97.9 | 92.2 |
Redundancy | 8.3 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | PEG MME 350, CaCl2, MES, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |