7SAO
The CTI-homolog pacifastin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 33.162, 78.077, 27.736 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.040 - 1.770 |
R-factor | 0.1767 |
Rwork | 0.175 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gl1 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.381 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.040 | 1.840 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.149 | |
Rmeas | 0.054 | |
Number of reflections | 3176 | 76 |
<I/σ(I)> | 30.48 | |
Completeness [%] | 85.0 | 85 |
Redundancy | 6.3 | 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | JCSG+ Suite G15 (5 mM CoCl2, 5 mM CdCl2, 5 mM NiCl2, 0.1 M HEPES pH 7.5, 12% PEG 3350) |