4AVE
C.lacteus nerve Hb in the deoxy form
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 | 42.140, 44.330, 62.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.990 - 1.900 |
R-factor | 0.18481 |
Rwork | 0.183 |
R-free | 0.22053 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kr7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.271 |
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] | 25.400 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.200 | 0.360 |
Number of reflections | 9482 | |
<I/σ(I)> | 6 | 4.2 |
Completeness [%] | 98.6 | 100 |
Redundancy | 5.8 | 6.4 |
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 |