2Z6S
Crystal structure of the oxy myoglobin free from X-ray-induced photoreduction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.6 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.338, 30.699, 63.674 |
Unit cell angles | 90.00, 105.46, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.250 |
R-factor | 0.187 |
Rwork | 0.136 |
R-free | 0.18700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1am6 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.290 |
High resolution limit [Å] | 1.250 | 1.250 |
Number of reflections | 35414 | |
<I/σ(I)> | 24.4 | 2.53 |
Completeness [%] | 99.2 | 96.6 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6 | 293 | ammonium sulfate, pH6.0, LIQUID DIFFUSION, temperature 293K |