4NZJ
Crystal structure of a putative alpha-galactosidase (BF1418) from Bacteroides fragilis NCTC 9343 at 1.57 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) | 0.918401,0.979261,0.979152 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 114.614, 114.614, 77.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.386 - 1.570 |
R-factor | 0.1549 |
Rwork | 0.154 |
R-free | 0.16850 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.099 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.386 | 1.630 | |
High resolution limit [Å] | 1.570 | 3.380 | 1.570 |
Rmerge | 0.076 | 0.044 | 0.947 |
Number of reflections | 71815 | 13734 | 13878 |
<I/σ(I)> | 9.28 | 23.9 | 1.5 |
Completeness [%] | 99.1 | 99.3 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.16M magnesium acetate, 20.0% Glycerol, 16.0% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |