Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 110.689, 115.410, 76.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.980 - 2.800 |
| R-factor | 0.209 |
| Rwork | 0.205 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f7b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.072 | 0.462 |
| Number of reflections | 24741 | |
| <I/σ(I)> | 31.098 | 3.9 |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 7.8 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 296.4 | precipitant: 1.6 M Ammonium Sulfate, 0.1 m Citric Acid, ph 4, 0.1 m Cis,Cis-Muconate. protein: 20 mM Tris HCL, 0.5 M NACL, ph 7.9, 250 mM Imdizale, 10% Glycerol protein and preicipitant mixed in a ratio of 3:1 , MICROBATCH UNDER OIL, temperature 296.4K |
