2BH5
X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 295 K.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR78 |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Collection date | 2003-08-03 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.457, 43.011, 87.954 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.850 - 1.950 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cot |
RMSD bond length | 0.009 |
RMSD bond angle | 1.153 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.850 | 1.990 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.120 | 0.390 |
Number of reflections | 9207 | |
<I/σ(I)> | 13.6 | 2.8 |
Completeness [%] | 99.3 | 92.5 |
Redundancy | 6.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 3.2 M AMMONIUM SULFATE, 0.1 M BICINE PH 9 |