3FXA
Crystal structure of a putative sugar-phosphate isomerase (lmof2365_0531) from listeria monocytogenes str. 4b f2365 at 1.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.94645 |
Spacegroup name | P 31 |
Unit cell lengths | 57.944, 57.944, 197.964 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.976 - 1.600 |
R-factor | 0.135 |
Rwork | 0.133 |
R-free | 0.15700 |
Structure solution method | MAD + MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.605 |
Data reduction software | MOSFLM (7.0.1) |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.976 | 28.976 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.085 | 0.051 | 0.652 |
Total number of observations | 8183 | 23127 | |
Number of reflections | 97660 | ||
<I/σ(I)> | 5.726 | 41 | 1.8 |
Completeness [%] | 99.6 | 98.8 | 97.2 |
Redundancy | 4.7 | 7.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 277 | NANODROP, 0.2M Mg formate, 20.0% PEG 3350, No Buffer pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | NANODROP, 0.2M NH4Cl, 20.0% PEG 3350, No Buffer pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |