6KNS
Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group I4122)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 106.378, 106.378, 404.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.150 |
R-factor | 0.1698 |
Rwork | 0.168 |
R-free | 0.20230 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.417 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.079 | 0.439 |
Number of reflections | 61164 | 5769 |
<I/σ(I)> | 33 | |
Completeness [%] | 95.9 | 91.7 |
Redundancy | 8 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | PEG 8000, calcium acetate, sodium acetate |