4Z8U
CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.225, 88.385, 152.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.820 - 1.650 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4PDB ENTRY Q5L |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.043 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.087 | 0.618 |
| Number of reflections | 58250 | |
| <I/σ(I)> | 20.1 | 1.5 |
| Completeness [%] | 98.6 | 85.7 |
| Redundancy | 7.9 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.6M (NH4)2SO4, 18% GLYCEROL, 8 MM DTT, 100 MM NA-CITRATE, 30 MM ATP AND 60 MM MAGNESIUM ACETATE, PH 5.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
