7CNW
Crystal structure of Apo PSD from E. coli (1.90 A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-11-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98011 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.443, 79.817, 147.089 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.810 - 1.900 |
R-factor | 0.2131 |
Rwork | 0.211 |
R-free | 0.24330 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.579 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.030 | 49.030 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.137 | 0.035 | 2.802 |
Rmeas | 0.142 | 0.036 | 2.933 |
Rpim | 0.037 | 0.011 | 0.845 |
Total number of observations | 1009308 | ||
Number of reflections | 71625 | 712 | 3952 |
<I/σ(I)> | 14.6 | 62 | 1 |
Completeness [%] | 98.8 | 94.4 | 86.8 |
Redundancy | 14.1 | 10.6 | 11.4 |
CC(1/2) | 0.999 | 0.999 | 0.369 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 0.1 M BIS-TRIS pH 6.3, 28% w/v PEGMME 2000, 5% w/v 1.6-Hexanediol |