4MRU
Crystal structure of a susD homolog (BT1281) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794,0.9184,0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 51.146, 74.673, 78.057 |
Unit cell angles | 78.73, 73.51, 78.62 |
Refinement procedure
Resolution | 28.387 - 1.900 |
R-factor | 0.1369 |
Rwork | 0.135 |
R-free | 0.17570 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.517 |
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] | 28.387 | 28.390 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.075 | 0.051 | 0.239 |
Number of reflections | 74269 | 15253 | 13143 |
<I/σ(I)> | 5.07 | 10.2 | 1.8 |
Completeness [%] | 84.9 | 88.3 | 74.6 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2000M magnesium acetate, 20.0000% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.5, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K |