Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.512, 61.512, 147.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.400 - 2.500 |
R-factor | 0.24983 |
Rwork | 0.246 |
R-free | 0.32275 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ezm |
RMSD bond length | 0.012 |
RMSD bond angle | 1.811 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.071 | |
Number of reflections | 10270 | |
Completeness [%] | 99.9 | 65.3 |
Redundancy | 21.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.3 | 298 | 0.1M CHES, 1M NaCitrate, pH 10.3, silica hydrogel, VAPOR DIFFUSION, HANGING DROP, temperature 298K |