4Q6K
Crystal structure of a putative neuraminidase (BACCAC_01090) from Bacteroides caccae ATCC 43185 at 1.90 A resolution (PSI Community Target)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97939 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.892, 124.337, 107.707 |
Unit cell angles | 90.00, 91.61, 90.00 |
Refinement procedure
Resolution | 29.778 - 1.902 |
R-factor | 0.1395 |
Rwork | 0.138 |
R-free | 0.17290 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.288 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012 BUILT=20131111) |
Phasing software | SHELX |
Refinement software | PHENIX (1.8.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.778 | 1.970 | |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.070 | 0.026 | 0.413 |
Number of reflections | 196803 | 37051 | 38819 |
<I/σ(I)> | 8.34 | 22.6 | 1.9 |
Completeness [%] | 97.5 | 93.4 | 96.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.20M potassium citrate, 20.0% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |