Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-01 |
Detector | ADSC |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.670, 64.208, 70.500 |
Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a28 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.139 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.076 | 0.030 | 0.421 |
Number of reflections | 38672 | ||
<I/σ(I)> | 13.243 | ||
Completeness [%] | 95.4 | 99.9 | 73.2 |
Redundancy | 3.5 | 3.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 7 | 298 | 0.1M Hepes, 0.2M Lithium Sulfate, 15% PEG3350, pH 7.0, hanging drop, temperature 298K |