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 |