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 |