3CLM
Crystal structure of transaldolase (YP_208650.1) from Neisseria gonorrhoeae FA 1090 at 1.14 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-19 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97916 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.140, 83.030, 89.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.579 - 1.140 |
R-factor | 0.13 |
Rwork | 0.130 |
R-free | 0.16100 |
Structure solution method | MAD, MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 0.029 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.579 | 29.579 | 1.180 |
High resolution limit [Å] | 1.140 | 2.450 | 1.140 |
Rmerge | 0.043 | 0.024 | 0.326 |
Number of reflections | 107548 | 22145 | 9600 |
<I/σ(I)> | 10.68 | 27.5 | 2.3 |
Completeness [%] | 90.4 | 98.8 | 44 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | NANODROP, 0.20M (NH4)2SO4, 20.0% PEG 3350, No Buffer pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | NANODROP, 0.16M Ca(OAc)2, 20.0% Glycerol, 14.4% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |