7CD4
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 | 2015-11-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.101, 85.506, 106.537 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.680 - 2.100 |
R-factor | 0.18693 |
Rwork | 0.185 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5y6u |
RMSD bond length | 0.010 |
RMSD bond angle | 1.427 |
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] | 100.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.109 | 0.684 |
Number of reflections | 34597 | 3375 |
<I/σ(I)> | 15.9 | 3 |
Completeness [%] | 99.3 | 98.3 |
Redundancy | 13.9 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 13.5 % PEG 3350, 1 mM zinc acetate, 0.2 M magnesium chloride, 0.1 M Bis-Tris buffer pH 5.5 |