6IXI
structure of Cd-bound periplasmic metal binding protein from candidatus liberibacter asiaticus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-05 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 93.274, 93.274, 93.991 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.680 - 2.070 |
R-factor | 0.1808 |
Rwork | 0.179 |
R-free | 0.21916 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cl2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.367 |
Data reduction software | HKL-2000 (v703g) |
Data scaling software | HKL-2000 (v703g) |
Phasing software | MOLREP (11.6.02) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.060 | 2.060 |
Number of reflections | 29875 | 664 |
<I/σ(I)> | 21 | 2.1 |
Completeness [%] | 96.3 | 53.1 |
Redundancy | 4.6 | |
CC(1/2) | 1.000 | 0.520 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 2M ammonium sulphate, 0.1M Sodium acetate Trihydrate |