2CJ8
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco (pH 9.5)
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 21 21 21 |
Unit cell lengths | 40.050, 50.220, 131.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.210 - 2.380 |
R-factor | 0.202 |
Rwork | 0.198 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rj1 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.542 |
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] | 19.210 | 2.580 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.120 | 0.450 |
Number of reflections | 11192 | |
<I/σ(I)> | 13.6 | 4.4 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 7.1 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9.5 | 18 % PEG 4000, 0.1 M TRICINE PH 9.5, 0.2 M NAI |