Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2005-07-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.7000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.105, 82.914, 53.650 |
Unit cell angles | 90.00, 99.29, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.250 |
R-factor | 0.179 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a3n |
RMSD bond length | 0.012 |
RMSD bond angle | 0.020 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.320 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.067 | 0.465 |
Number of reflections | 145478 | |
<I/σ(I)> | 6.3 | |
Completeness [%] | 97.0 | 93.8 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch | 6.5 | 293 | Ammonium sulfate, Ammonium phosphate, pH 6.5, Batch, temperature 293K |