7D33
The Pb2+ complexed structure of TBA G8C mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-03-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.765, 51.941, 57.063 |
Unit cell angles | 90.00, 113.59, 90.00 |
Refinement procedure
Resolution | 25.338 - 2.117 |
R-factor | 0.2149 |
Rwork | 0.212 |
R-free | 0.23980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7d31 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.751 |
Data reduction software | HKL-3000 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.370 | 37.370 | 2.230 |
High resolution limit [Å] | 2.117 | 6.690 | 2.120 |
Rmerge | 0.239 | 0.107 | 0.999 |
Rmeas | 0.259 | 0.117 | 1.082 |
Rpim | 0.099 | 0.046 | 0.412 |
Total number of observations | 2386 | 11669 | |
Number of reflections | 22836 | 394 | 1744 |
<I/σ(I)> | 6.7 | 12.6 | 2.4 |
Completeness [%] | 96.9 | 97.6 | 99.3 |
Redundancy | 6.7 | 6.1 | 6.7 |
CC(1/2) | 0.990 | 0.993 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 10% v/v MPD, 40 mM sodium cacodylate pH 7.0, 28 mM spermine tetra-HCl, and 80 mM sodium chloride |