Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-08 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.845, 99.477, 77.883 |
Unit cell angles | 90.00, 94.55, 90.00 |
Refinement procedure
Resolution | 42.068 - 2.187 |
R-factor | 0.2119 |
Rwork | 0.209 |
R-free | 0.25640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nq5 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.668 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.630 | 2.330 |
High resolution limit [Å] | 2.187 | 2.190 |
Number of reflections | 39151 | |
Completeness [%] | 95.9 | 77.2 |
Redundancy | 3.31 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M Li2SO4, 0.1M HEPES, 25%(w/v) polyethylene glycerol 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |