6KYE
The crystal structure of recombinant human adult hemoglobin
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 | 2019-07-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 123.031, 55.947, 133.156 |
| Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
| Resolution | 48.420 - 2.280 |
| R-factor | 0.2281 |
| Rwork | 0.226 |
| R-free | 0.26770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dn3 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.337 |
| Data reduction software | XDS (Mar 15, 2019) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.460 | 48.420 | 2.330 |
| High resolution limit [Å] | 2.280 | 11.640 | 2.280 |
| Rmerge | 0.140 | 0.045 | 1.629 |
| Rmeas | 0.170 | 0.055 | 1.984 |
| Rpim | 0.095 | 0.032 | 1.116 |
| Total number of observations | 1637 | 12565 | |
| Number of reflections | 80208 | 620 | 4394 |
| <I/σ(I)> | 5.4 | 19.9 | 0.7 |
| Completeness [%] | 97.6 | 89.8 | 93.6 |
| Redundancy | 2.9 | 2.6 | 2.9 |
| CC(1/2) | 0.993 | 0.994 | 0.338 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6 | 293 | NaCl, PEG3350, MES |
