6E6U
Variant C89S of 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 | 2016-02-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 41 |
| Unit cell lengths | 80.361, 80.361, 78.323 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.360 - 1.550 |
| R-factor | 0.17518 |
| Rwork | 0.173 |
| R-free | 0.21508 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6e6y |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.084 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.360 | 1.557 |
| High resolution limit [Å] | 1.550 | 1.552 |
| Rmerge | 0.089 | 1.141 |
| Number of reflections | 71503 | |
| <I/σ(I)> | 16.8 | |
| Completeness [%] | 99.4 | |
| Redundancy | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 282 | 1.7 M ammonium sulfate, 2.5% PEG 400, 0.1 M HEPES pH 7.0 |
