6E6Y
Dieckmann cyclase, NcmC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97858 |
Spacegroup name | P 41 |
Unit cell lengths | 80.435, 80.435, 77.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.430 - 1.600 |
R-factor | 0.17046 |
Rwork | 0.169 |
R-free | 0.20396 |
Structure solution method | SAD |
RMSD bond length | 0.021 |
RMSD bond angle | 2.056 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.430 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.087 | 0.690 |
Number of reflections | 64619 | 5773 |
<I/σ(I)> | 9.8 | |
Completeness [%] | 99.0 | |
Redundancy | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 282 | 1.75 M ammonium sulfate, 1.9% (w/v) PEG 400, 0.1 M HEPES pH 7.0, 3 mM DTT |