6XYY
Update of ACHE FROM DROSOPHILA MELANOGASTER COMPLEX WITH TACRINE DERIVATIVE 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
Replaces: 1DX4Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-06-01 |
Detector | Brandeis B4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.810, 95.810, 162.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.780 - 2.700 |
R-factor | 0.178 |
Rwork | 0.172 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qon |
RMSD bond length | 0.008 |
RMSD bond angle | 0.891 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.780 | 2.796 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmeas | 0.038 | 0.274 |
Number of reflections | 20596 | 1809 |
<I/σ(I)> | 24.3 | 3.2 |
Completeness [%] | 96.0 | |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 13% MPEG2000, 0.1 M ammonium sulfate, 0.03 M leucine, 0.1 M acetate, pH 4.6 |