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 |