4ES6
Crystal structure of HemD (PA5259) from Pseudomonas aeruginosa (PAO1) at 2.22 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-10-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979400 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 132.070, 132.070, 42.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.760 - 2.220 |
| R-factor | 0.21428 |
| Rwork | 0.212 |
| R-free | 0.25183 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.174 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.040 | 2.340 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.084 | 0.539 |
| Number of reflections | 18993 | |
| <I/σ(I)> | 12 | 3.1 |
| Completeness [%] | 99.0 | 95.5 |
| Redundancy | 6.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 0.1M Na-Cacodylate pH 6.7, 0.87M Na-Citrate , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
