4OGZ
Crystal structure of a putative alpha-galactosidase/melibiase (BF4189) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401,0.979183 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.955, 170.874, 52.619 |
Unit cell angles | 90.00, 106.71, 90.00 |
Refinement procedure
Resolution | 56.958 - 2.000 |
R-factor | 0.1708 |
Rwork | 0.169 |
R-free | 0.20060 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.543 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.958 | 56.958 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.012 | 0.012 | |
Total number of observations | 2464 | 15996 | |
Number of reflections | 57998 | ||
<I/σ(I)> | 4.1 | 4.3 | 0.4 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 3.7 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 50.0% polyethylene glycol 200, 0.2M sodium chloride, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |