1NS6
The 2.1A Structure of Horse (alpha hemichrome/beta met) Hemoglobin at pH 5.4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1997-09-15 |
Detector | UCSD MARK II |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.110, 63.330, 53.850 |
Unit cell angles | 90.00, 84.72, 90.00 |
Refinement procedure
Resolution | 54.230 - 2.070 * |
R-factor | 0.16262 |
Rwork | 0.163 |
R-free | 0.19400 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g0b |
RMSD bond length | 0.012 * |
RMSD bond angle | 1.250 * |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | CNS |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | |
High resolution limit [Å] | 2.070 * | 2.070 * |
Rmerge | 0.053 | 0.123 * |
Total number of observations | 125115 * | |
Number of reflections | 21680 * | |
Completeness [%] | 97.2 | 87.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 7.1 * | 298 | 1.5M ammonium sulfate, 0.35M ammonium phosphate then soaked to pH 5.4 in solutions of 3.35 M ammonium sulfate buffered with 0.2M ammonium phosphate, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | horse methemoglobin | 2 (%) | |
2 | 1 | 1 | ammonium sulfate | 1.5 (M) | |
3 | 1 | 1 | ammonium phosphate | 0.35 (M) | pH7.1 |