3Q60
Crystal structure of virulent allele ROP5B pseudokinase domain bound to ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-20 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 123.358, 69.329, 43.385 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.219 - 1.720 |
R-factor | 0.1804 |
Rwork | 0.179 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.707 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
High resolution limit [Å] | 1.720 | 3.710 | 1.720 |
Rmerge | 0.072 | 0.053 | 0.540 |
Number of reflections | 40071 | ||
<I/σ(I)> | 11.8 | ||
Completeness [%] | 98.8 | 99.5 | 89 |
Redundancy | 13.9 | 13.6 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 20% PEG-3350, 0.3M Sodium malonate, 0.02M MgCl2, 0.01M ATP, pH 5.5, vapor diffusion, hanging drop, temperature 291K |