7CD2
Crystal structure of the S103F mutant of Bacillus subtilis (natto) YabJ protein.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2015-06-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.984, 96.121, 263.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.912 - 2.700 |
R-factor | 0.19046 |
Rwork | 0.186 |
R-free | 0.27701 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5y6u |
RMSD bond length | 0.020 |
RMSD bond angle | 2.138 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 150.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.115 | 0.733 |
Number of reflections | 62923 | 6046 |
<I/σ(I)> | 15.5 | 3.1 |
Completeness [%] | 93.3 | 91.3 |
Redundancy | 11.8 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 25% PEG 4000, 0.45 M ammonium acetate, 0.1 M sodium acetate buffer pH 4.2 |