Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2012-02-17 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 65 |
Unit cell lengths | 59.736, 59.736, 301.527 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.720 - 1.910 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4GDT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.116 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.740 | 2.020 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 45006 | |
Completeness [%] | 95.7 | 81.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 293 | 2.2-2.5 M sodium Malonate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |