6IHX
Crystal Structure Analysis of bovine Hemoglobin modified by SNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.117, 78.132, 109.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.500 - 1.460 |
R-factor | 0.1464 |
Rwork | 0.145 |
R-free | 0.19960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g09 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.194 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.490 |
High resolution limit [Å] | 1.460 | 3.960 | 1.460 |
Rmerge | 0.076 | 0.060 | 0.833 |
Rmeas | 0.081 | 0.063 | 0.897 |
Rpim | 0.026 | 0.020 | 0.320 |
Number of reflections | 96527 | 5152 | 4759 |
<I/σ(I)> | 7.1 | ||
Completeness [%] | 99.4 | 99.2 | 99.7 |
Redundancy | 8.7 | 9.6 | 7.4 |
CC(1/2) | 0.998 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 6.9 | 293 | 25% PEG3,500, 0.2M potassium thiocyanate, 0.1M MES pH6.9 |