Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2011-11-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 59.459, 59.459, 298.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.730 - 1.850 |
R-factor | 0.163 |
Rwork | 0.161 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zak |
RMSD bond length | 0.009 |
RMSD bond angle | 1.210 |
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] | 30.000 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 48285 | |
<I/σ(I)> | 18.4 | 2.58 |
Completeness [%] | 94.7 | 69.5 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.2M SODIUM MALONATE, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |