Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 94.699, 99.981, 124.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.122 - 2.590 |
| R-factor | 0.2363 |
| Rwork | 0.234 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qe3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.788 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.590 | 2.600 |
| Rmerge | 0.136 | 0.950 |
| Number of reflections | 18664 | |
| <I/σ(I)> | 7.3 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 290 | 1.26M NAH2PO4, 0.14M K2HPO4 AND 0.2M NDSB-211, PH 5.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290.0K |
