2VYY
Mutant Ala55Trp of Cerebratuls lacteus mini-hemoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-25 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.790, 43.323, 60.036 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.370 - 1.600 |
R-factor | 0.17147 |
Rwork | 0.167 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kr7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.310 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.320 |
Number of reflections | 15251 | |
<I/σ(I)> | 12.7 | 4.1 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 277 | 60% AMMONIUM SULFATE, 50MM SODIUM ACETATE, PH 6.0, AT 277K |