3NGP
High resolution structure of alpha-spectrin SH3 domain mutant with a redesigned core
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.787, 37.231, 62.949 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.280 - 1.084 |
R-factor | 0.1688 |
Rwork | 0.168 |
R-free | 0.18510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1shg |
RMSD bond length | 0.005 |
RMSD bond angle | 1.005 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.140 |
High resolution limit [Å] | 1.080 | 3.430 | 1.080 |
Rmerge | 0.071 | 0.045 | 0.332 |
Number of reflections | 25256 | ||
<I/σ(I)> | 11.1 | 23.4 | 3.2 |
Completeness [%] | 99.2 | 91 | 98.4 |
Redundancy | 3.5 | 2.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2M ammonium sulphate, 0.1 M MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |