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 |
