5CCD
Joint X-ray/neutron structure of MTAN D198N complex with SAH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2014-06-07 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 83.189, 83.189, 67.633 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.020 - 2.600 |
Rwork | 0.201 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | CNS (nCNS 1.0.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.630 | 2.280 |
High resolution limit [Å] | 2.200 | 2.490 | 1.890 |
Rmerge | 0.076 | 0.337 | 0.627 |
Number of reflections | 13696 | ||
<I/σ(I)> | 19.5 | 1.7 | 2.3 |
Completeness [%] | 97.1 | 58.5 | 95.2 |
Redundancy | 4.3 | 2.6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | PEG 550 MME, Magnesium Chloride Hexahydrate and HEPES pH 7 |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | PEG 550 MME, Magnesium Chloride Hexahydrate and HEPES pH 7 |