Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-21 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97625 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 112.378, 112.378, 232.783 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.860 - 2.500 |
R-factor | 0.1717 |
Rwork | 0.170 |
R-free | 0.20280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1F3I |
RMSD bond length | 0.008 |
RMSD bond angle | 1.202 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.760 | 2.500 |
Rmerge | 0.091 | 0.035 | 0.389 |
Number of reflections | 31250 | ||
<I/σ(I)> | 29.428 | 66.484 | 6.786 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 16.9 | 20 | 11.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5 | 293 | 15% PEG 1500, 0.35M POTASSIUM GLUTAMATE, 0.05M POTASSIUM SUCCINATE, pH 5.0, microbatch, temperature 293K |