Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-05 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9998 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 136.490, 136.490, 170.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.880 - 2.100 |
R-factor | 0.23157 |
Rwork | 0.230 |
R-free | 0.25537 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2EWD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.844 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.062 | 0.294 |
Number of reflections | 100051 | |
<I/σ(I)> | 15.8 | |
Completeness [%] | 94.9 | 64.6 |
Redundancy | 3.8 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 16.5% PEG 2000, 0.1 M TRIS-HCL, 0.08% B-D-GLYCOPYRANOSIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |