3FKJ
Crystal structure of a putative phosphosugar isomerase (stm_0572) from salmonella typhimurium lt2 at 2.12 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 | 2008-11-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.90496,0.97858,0.97824 |
Spacegroup name | P 65 |
Unit cell lengths | 63.880, 63.880, 295.930 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.323 - 2.120 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.21200 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.413 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.323 | 29.323 | 2.200 |
High resolution limit [Å] | 2.120 | 4.550 | 2.120 |
Rmerge | 0.054 | 0.029 | 0.411 |
Number of reflections | 38085 | 7470 | 6352 |
<I/σ(I)> | 12.91 | 32.8 | 1.95 |
Completeness [%] | 91.2 | 95.3 | 78.2 |
Redundancy | 5.62 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 0.2000M NaThioCyanate, 20.0000% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |