Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-10 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.530, 58.730, 116.453 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.480 - 2.200 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | continued refinement of model from PDB entry 3BFN. Previously solved using coordinates from PDB entry 3B6U. |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | DENZO |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.480 | 35.480 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.060 | 2.200 |
| Rmerge | 0.121 | 0.022 | 0.840 |
| Rmeas | 0.130 | 0.024 | 0.946 |
| Rpim | 0.049 | 0.010 | 0.426 |
| Total number of observations | 109199 | 1614 | 5812 |
| Number of reflections | 16157 | 5812 | |
| <I/σ(I)> | 16.1 | 53.8 | 2.4 |
| Completeness [%] | 99.5 | 98.6 | 95 |
| Redundancy | 6.8 | 5.8 | 4.4 |
| CC(1/2) | 0.998 | 1.000 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 291 | 3.2 M NaCl, 0.1 M Tris |
