3KKG
Crystal structure of Putative SnoaL-like polyketide cyclase (YP_509242.1) from Jannaschia Sp. CCS1 at 1.40 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-30 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97925,0.97911 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 57.036, 57.036, 181.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.210 - 1.400 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.19800 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.642 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.210 | 29.210 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.069 | 0.042 | 0.988 |
Total number of observations | 3502 | 24120 | |
Number of reflections | 34674 | ||
<I/σ(I)> | 18.6 | 14.8 | 0.8 |
Completeness [%] | 98.4 | 96 | 97 |
Redundancy | 9.5 | 7.4 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2000M CaCl2, 28.0000% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |