4QIM
Structure of the human smoothened receptor in complex with ANTA XV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.830, 79.840, 170.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.640 - 2.610 |
R-factor | 0.2255 |
Rwork | 0.223 |
R-free | 0.26290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Two independent search models of SMO and BRIL domains from PDB entry 4JKV |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.091 | 0.723 |
Number of reflections | 17421 | |
<I/σ(I)> | 35 | 2 |
Completeness [%] | 94.4 | 80.6 |
Redundancy | 7.7 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Lipidic Cubic Phase (LCP) | 7.2 | 293 | 100-115mM NH4Cl, 100mM HEPES pH7.2, 36% PEG400, Lipidic Cubic Phase (LCP), temperature 293K |