4EP6
Crystal structure of the XplA heme domain in complex with imidazole and PEG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | I 41 |
| Unit cell lengths | 136.120, 136.120, 75.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.040 - 2.300 |
| R-factor | 0.20297 |
| Rwork | 0.201 |
| R-free | 0.24179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wiv |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.885 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 43.040 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 28983 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 50 mM magnesium chloride, 0.1 M imidazole/MES, pH 6.5, 30% PEG550 MME, PEG20000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
