Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97918 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 63.713, 63.713, 242.432 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.350 - 2.248 |
R-factor | 0.226 |
Rwork | 0.224 |
R-free | 0.26460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ncd |
RMSD bond length | 0.009 |
RMSD bond angle | 0.895 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.490 | 48.490 | 2.320 |
High resolution limit [Å] | 2.250 | 8.990 | 2.250 |
Rmerge | 0.046 | 0.023 | 1.336 |
Rmeas | 0.048 | 0.025 | 1.386 |
Rpim | 0.013 | 0.008 | 0.367 |
Total number of observations | 349118 | 4615 | 30387 |
Number of reflections | 24875 | ||
<I/σ(I)> | 29.4 | 69.5 | 2.3 |
Completeness [%] | 99.8 | 96.7 | 98.4 |
Redundancy | 14 | 9.8 | 13.8 |
CC(1/2) | 1.000 | 0.999 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 3.5M sodium chloride, 0.1M bis-tris propane, 5% glycerol |