3E76
Crystal structure of Wild-type GroEL with bound Thallium ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97741 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 135.676, 260.954, 287.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.390 - 3.940 |
R-factor | 0.262 |
Rwork | 0.261 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 1XCK |
RMSD bond length | 0.007 |
RMSD bond angle | 0.919 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.080 |
High resolution limit [Å] | 3.940 | 3.940 |
Rmerge | 0.189 | 0.960 |
Number of reflections | 90513 | |
<I/σ(I)> | 12.8 | 2.1 |
Completeness [%] | 98.0 | 88 |
Redundancy | 8.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |