2CJ6
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco (pH 7.5)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-26 |
Detector | MARRESEARCH |
Spacegroup name | P 65 |
Unit cell lengths | 93.830, 93.830, 36.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.930 - 2.000 |
R-factor | 0.22 |
Rwork | 0.217 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rj1 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.477 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.930 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.200 | 0.650 |
Number of reflections | 12748 | |
<I/σ(I)> | 7.8 | 2.5 |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 4.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 18 % PEG 4000, 0.1 M BIS-TRIS PH 7.5, 0.2 M NAI |