3NQP
Crystal structure of a SusD superfamily protein (BF1802) from Bacteroides fragilis NCTC 9343 at 1.90 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97937 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.093, 87.958, 107.041 |
| Unit cell angles | 90.00, 93.38, 90.00 |
Refinement procedure
| Resolution | 29.587 - 1.900 |
| R-factor | 0.15259 |
| Rwork | 0.150 |
| R-free | 0.19385 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.442 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.587 | 29.587 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.058 | 0.661 | |
| Rmeas | 0.173 | 0.068 | 0.807 |
| Rpim | 0.087 | 0.034 | 0.452 |
| Total number of observations | 371314 | 4216 | 20067 |
| Number of reflections | 93613 | ||
| <I/σ(I)> | 6.8 | 16.1 | 1.7 |
| Completeness [%] | 99.5 | 97.6 | 94.1 |
| Redundancy | 4 | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1290M magnesium acetate, 13.6000% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
