2CA6
MIRAS structure determination from hemihedrally twinned crystals
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 | IMAGE PLATE |
| Collection date | 1996-10-02 |
| Detector | MARRESEARCH |
| Spacegroup name | I 41 |
| Unit cell lengths | 175.210, 175.210, 55.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.000 - 2.200 |
| Rwork | 0.165 |
| R-free | 0.21820 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.230 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 42106 | |
| <I/σ(I)> | 8 | 2.1 |
| Completeness [%] | 97.3 | 87.4 |
| Redundancy | 3.8 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2 MICROLITER PROTEIN (25MG/ML IN 20MM TRIS-HCL PH7.5, 2MMDTE) AND 2 MICROLITER RESERVOIR (24% PEG2000MME, 100MM TRIS PH8.5, 200MM LI2SO4, 20MM MGCL2)., pH 8.50 |
