Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-08 |
Detector | SBC-3 |
Wavelength(s) | 0.97929 |
Spacegroup name | H 3 |
Unit cell lengths | 137.023, 137.023, 56.288 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.410 - 2.100 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.23700 |
Structure solution method | SAD |
RMSD bond length | 0.022 |
RMSD bond angle | 1.805 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.099 | 0.580 |
Number of reflections | 28633 | |
<I/σ(I)> | 24.9 | 1.4 |
Completeness [%] | 98.2 | 87.8 |
Redundancy | 5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 10% w/v PEG 3350, 0.3 M NH4 CITRATE, 5 mM BETA-MERCAPTOETHANOL, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |