2XKH
Xe derivative of C.lacteus mini-Hb Leu86Ala mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.919, 43.011, 59.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.290 - 2.310 |
| R-factor | 0.20102 |
| Rwork | 0.194 |
| R-free | 0.26610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kr7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.073 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 5031 | |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 97.5 | 93 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 277 | 60% AMMONIUM SULPHATE, 50MM SODIUM ACETATE PH 6.0, AT 4C |
