5DW8
Crystal structure of 2'AMP bound SaIMPase-II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-05-05 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.008, 105.687, 53.313 |
Unit cell angles | 90.00, 101.91, 90.00 |
Refinement procedure
Resolution | 19.680 - 2.400 |
R-factor | 0.2087 |
Rwork | 0.205 |
R-free | 0.26550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.728 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP (11.0.05) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.843 | 19.677 | 2.530 |
High resolution limit [Å] | 2.399 | 7.590 | 2.400 |
Rmerge | 0.043 | 0.428 | |
Rmeas | 0.162 | ||
Rpim | 0.084 | 0.027 | 0.260 |
Total number of observations | 78201 | 2369 | 11177 |
Number of reflections | 20768 | ||
<I/σ(I)> | 8.9 | 24.2 | 3.2 |
Completeness [%] | 99.7 | 94.2 | 99.6 |
Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M CaCl2, 0.1 M Bis-Tris pH 6.0, 20% (W/V) PEG 3350 |