Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.973, 55.320, 69.121 |
| Unit cell angles | 90.00, 93.36, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.250 |
| R-factor | 0.14671 |
| Rwork | 0.146 |
| R-free | 0.16559 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 2B3M (SEL-MET DERIVATIVE) |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.592 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.045 | 0.296 |
| Number of reflections | 90451 | |
| <I/σ(I)> | 57.1 | 6.6 |
| Completeness [%] | 96.5 | 92.3 |
| Redundancy | 9 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | AMMONIUM PHOSPHATE, TRIS HCL, PH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
