3PGR
Asp348Arg mutant of EcFadL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 65.202, 65.202, 288.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.581 - 2.600 |
R-factor | 0.2207 |
Rwork | 0.216 |
R-free | 0.25990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t16 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.090 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_572)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.644 | |
Number of reflections | 25546 | |
<I/σ(I)> | 2.7 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | screen solution was 360mM NaCl, 0.1% w/v NaN3 15mM NaPi, 9.9% w/v PEG 4000 pH 7.0, protein dialyzed prior to setup in 10mM NaOAc, 50mM NaCl, 10% glycerol, 0.4% C8E4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |