1R22
Crystal structure of the cyanobacterial metallothionein repressor SmtB (C14S/C61S/C121S mutant) in the Zn2alpha5-form
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.2398, 1.2828, 1.2833 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.448, 124.678, 25.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.23015 |
| Rwork | 0.229 |
| R-free | 0.28962 |
| Structure solution method | MAD |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.175 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 9318 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 94.4 | 85.7 |
| Redundancy | 6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Na/K phosphate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
