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 |