5T3N
Sp-2Cl-cAMPS bound to PKAR CBD2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-25 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.190, 64.190, 195.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.420 - 2.400 |
R-factor | 0.254 |
Rwork | 0.251 |
R-free | 0.30700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5k8s |
RMSD bond length | 0.013 |
RMSD bond angle | 2.179 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.300 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.038 | 0.316 |
Number of reflections | 16863 | |
<I/σ(I)> | 11.2 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.2 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20% w/v Polethylene glycol 3350, 0.2M NH4I |