6AMP
Crystal structure of H172A PHM (CuH absent, CuM present)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-26 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.422, 66.362, 69.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.090 - 2.480 |
R-factor | 0.217 |
Rwork | 0.213 |
R-free | 0.29030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid XX |
RMSD bond length | 0.013 |
RMSD bond angle | 1.693 |
Data reduction software | SCALEPACK |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.520 |
High resolution limit [Å] | 2.480 | 6.730 | 2.480 |
Rmerge | 0.068 | 0.047 | 0.366 |
Total number of observations | 45581 | ||
Number of reflections | 10124 | 537 | 462 |
<I/σ(I)> | 12.4 | ||
Completeness [%] | 99.1 | 91.8 | 95.5 |
Redundancy | 4.5 | 4.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 19-24% PEG 4000, Tris HCL, 0.54 M MgCl2 |