Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-17 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.769, 134.065, 139.101 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.240 - 2.300 |
R-factor | 0.21688 |
Rwork | 0.215 |
R-free | 0.24853 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4DOF_A |
RMSD bond length | 0.007 |
RMSD bond angle | 1.223 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.240 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.060 | 0.253 |
Number of reflections | 98092 | |
<I/σ(I)> | 10.4 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.48 | 7.48 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 5% PEG3000, 0.1M NaCl, 0.1M Hepes |