3GZB
Crystal structure of putative SnoaL-like polyketide cyclase (YP_001182657.1) from Shewanella putrefaciens CN-32 at 1.44 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 | 2009-02-23 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.240, 89.940, 94.320 |
Unit cell angles | 90.00, 89.94, 90.00 |
Refinement procedure
Resolution | 47.140 - 1.440 |
R-factor | 0.152 |
Rwork | 0.151 |
R-free | 0.17400 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.608 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.140 | 47.140 | 1.520 |
High resolution limit [Å] | 1.440 | 3.160 | 1.440 |
Rmerge | 0.063 | 0.047 | 0.499 |
Number of reflections | 269676 | 25464 | 40155 |
<I/σ(I)> | 28.1 | 2 | |
Completeness [%] | 99.2 | 97.6 | 99.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.64 | 293 | NANODROP, 17.70% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 6.64, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.64 | 293 | NANODROP, 17.70% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 6.64, VAPOR DIFFUSION, SITTING DROP, temperature 293K |