3NAW
Crystal structure of E. coli O157:H7 effector protein NleL
Experimental procedure
Experimental method | MAD |
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 | 2009-03-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0115, 0.9794, 0.9796, 0.9494 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 313.672, 77.310, 61.508 |
Unit cell angles | 90.00, 94.54, 90.00 |
Refinement procedure
Resolution | 47.047 - 2.500 |
R-factor | 0.1872 |
Rwork | 0.184 |
R-free | 0.24650 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.078 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 50366 | |
<I/σ(I)> | 12.6 | 3.8 |
Completeness [%] | 98.7 | 97.4 |
Redundancy | 7.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M MES, 1.6M LiSO4 or MgSO4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |