2XYK
Group II 2-on-2 Hemoglobin from the Plant Pathogen Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.180, 44.491, 57.580 |
| Unit cell angles | 90.00, 112.16, 90.00 |
Refinement procedure
| Resolution | 33.020 - 2.100 |
| R-factor | 0.18323 |
| Rwork | 0.177 |
| R-free | 0.23856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ngk |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.377 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.200 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.130 | 0.360 |
| Number of reflections | 14775 | |
| <I/σ(I)> | 12.4 | 4.6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 45% W/V PEG 4,000, LITHIUM CHLORIDE 0.8 M AND TRIS-HCL 0.1 M, PH 8.5 |
