3ZHW
X-ray Crystallographic Structural Characteristics of Arabidopsis Hemoglobin I and their Functional Implications
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-10-21 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.280, 76.672, 98.228 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.940 - 2.220 |
| R-factor | 0.21669 |
| Rwork | 0.214 |
| R-free | 0.26230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qqq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.128 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.100 | 0.620 |
| Number of reflections | 22216 | |
| <I/σ(I)> | 13.16 | 2 |
| Completeness [%] | 96.6 | 56 |
| Redundancy | 7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | AMMONIUM SULFATE, CACODYLATE TRIHYDRATE, PEG 8000 AND GLYCEROL, pH 7.0 |
