2XQR
Crystal structure of plant cell wall invertase in complex with a specific protein inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 3 |
| Unit cell lengths | 199.980, 199.980, 111.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.570 - 2.580 |
| R-factor | 0.18414 |
| Rwork | 0.183 |
| R-free | 0.21002 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1RJ1 AND 2AC1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.048 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0043) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.570 | 2.730 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.150 | 0.600 |
| Number of reflections | 156347 | |
| <I/σ(I)> | 6.9 | 1.95 |
| Completeness [%] | 99.2 | 98.5 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 15% PEG 5000 MME 0.2 M NH4SO4 0.1 M MES PH 6.5 |
