3GWP
Crystal structure of carbon-sulfur lyase involved in aluminum resistance (YP_878183.1) from CLOSTRIDIUM NOVYI NT at 2.90 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-10 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.740, 108.948, 207.642 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.775 - 2.900 |
R-factor | 0.225 |
Rwork | 0.223 |
R-free | 0.27100 |
Structure solution method | MR |
Starting model (for MR) | 3fd0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.065 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.775 | 29.770 | 2.980 |
High resolution limit [Å] | 2.900 | 12.970 | 2.900 |
Rmerge | 0.243 | 0.061 | 0.749 |
Total number of observations | 1517 | 10891 | |
Number of reflections | 40426 | ||
<I/σ(I)> | 3.121 | 10.5 | 1 |
Completeness [%] | 99.9 | 91.1 | 100 |
Redundancy | 3.7 | 3.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 277 | 0.2000M (NH4)2Tartrate, 20.0000% PEG-3350, No Buffer pH 6.6, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |