Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-29 |
Detector | ADSC QUANTAM Q315 |
Wavelength(s) | 0.97791 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.730, 67.730, 140.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.610 - 1.800 |
R-factor | 0.231 |
Rwork | 0.231 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ift |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.610 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 31106 | |
<I/σ(I)> | 34 | 4.8 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 7 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | AMMONIUM SULFATE, SODIUM ACETATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K, pH 4.20 |