Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-22 |
Detector | SBC-3 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.174, 99.158, 57.387 |
Unit cell angles | 90.00, 92.38, 90.00 |
Refinement procedure
Resolution | 32.010 - 1.900 |
R-factor | 0.16936 |
Rwork | 0.167 |
R-free | 0.20736 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3DLO |
RMSD bond length | 0.007 |
RMSD bond angle | 1.114 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.066 | 0.027 | 0.762 |
Rmeas | 0.074 | 0.031 | 0.867 |
Rpim | 0.034 | 0.014 | 0.408 |
Number of reflections | 38249 | 1957 | 1886 |
<I/σ(I)> | 8.4 | ||
Completeness [%] | 99.9 | 99.3 | 100 |
Redundancy | 4.5 | 4.7 | 4.3 |
CC(1/2) | 0.998 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M BIS-TRIS PH5.5, 0.2M AMMONIUM ACETATE, 25%PEG3350. |