6E6T
Dieckmann cyclase, NcmC, bound to cerulenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-04 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 41 |
Unit cell lengths | 80.269, 80.269, 77.743 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.840 - 1.600 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e6y |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3908) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.270 | 1.605 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.089 | 0.924 |
Number of reflections | 64817 | 6221 |
<I/σ(I)> | 17.8 | |
Completeness [%] | 99.7 | |
Redundancy | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 282 | 1.8 M ammonium sulfate, 1.8% w/v PEG400, 4% v/v formamide, 0.1 M HEPES, pH 7.0, 3 mM DTT |