4AVD
C.lacteus nerve Hb in complex with CO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-04 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.660, 43.480, 60.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.730 - 1.500 |
R-factor | 0.14713 |
Rwork | 0.145 |
R-free | 0.17876 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kr7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.245 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.500 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.080 | 0.320 |
Number of reflections | 18465 | |
<I/σ(I)> | 13.4 | 5.7 |
Completeness [%] | 99.6 | 100 |
Redundancy | 7 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 277 | 2.6 M AMMONIUM SULFATE, 50 MM SODIUM ACETATE PH 5.5, AT 277 K |