Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9650 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.660, 44.370, 92.510 |
Unit cell angles | 90.00, 104.09, 90.00 |
Refinement procedure
Resolution | 41.439 - 2.600 |
R-factor | 0.2166 |
Rwork | 0.215 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yks |
RMSD bond length | 0.003 |
RMSD bond angle | 0.542 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.285 | |
Number of reflections | 12626 | |
Completeness [%] | 99.0 | 93 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | PEG 10000, HEPES |