Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1997-05-18 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.39 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 146.256, 146.256, 65.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.990 - 3.000 |
| R-factor | 0.13462 |
| Rwork | 0.132 |
| R-free | 0.19653 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w6z |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.755 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.326 | |
| Number of reflections | 15427 | |
| <I/σ(I)> | 18 | 2.8 |
| Completeness [%] | 98.1 | 84.41 |
| Redundancy | 4.8 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 298 | 100 MM SODIUM N-TRIS(HYDROXYMETHYL)METHYL-3-AMINOPROPANESULFONATE, 0.25 MM EDTA, 2 MM NAD+, 0.2 M 2,2,2-TRIFLUOROETHANOL, 1 MM YBCL3, 16 % POLYETHYETHYLENE GLYCOL 5000 MONOMETHYL ETHER, PH 8.4 |
