6KNT
Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332)
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 | P 43 3 2 |
Unit cell lengths | 202.754, 202.754, 202.754 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 6KNS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.316 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.082 | 0.528 |
Number of reflections | 49583 | 4859 |
<I/σ(I)> | 30.8 | 4.5 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 8 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | ammonium sulfate, Hepes |