3NMM
Human Hemoglobin A mutant alpha H58W deoxy-form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-04-20 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.550, 81.830, 53.450 |
Unit cell angles | 90.00, 99.76, 90.00 |
Refinement procedure
Resolution | 28.817 - 1.600 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.19820 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2dn2 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.571 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.670 | 52.670 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.038 | 0.032 | 0.231 |
Total number of observations | 21121 | 13343 | |
Number of reflections | 62570 | ||
<I/σ(I)> | 15.9 | 45.9 | 4.2 |
Completeness [%] | 89.5 | 97.1 | 72.3 |
Redundancy | 2.83 | 2.95 | 2.64 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch Method | 6.5 | 293 | 20 ul Protein Solution (60mg/ml protein in 0.01 M ammonium phosphate pH 7.0) mixed with 100 ul mother liquor (0.5 ml 2M monobasic ammonium phosphate + 1.5 ml 2 M dibasic ammonium phosphate + 8 ml 4 M ammonium sulfate) for final concentrations of 2.4-2.6 M Ammonium phosphate/sulfate, Batch Method, temperature 293K |