4MFH
Crystal Structure of M121G Azurin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.747, 145.781, 97.092 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.150 - 1.540 |
R-factor | 0.1716 |
Rwork | 0.170 |
R-free | 0.19360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.123 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.570 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.069 | 0.376 |
Number of reflections | 53091 | |
Completeness [%] | 90.5 | 91.1 |
Redundancy | 6.8 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 2 UL droplet containing 1 UL apo-M121G azurin (1.3 mM) in 100 mM NaOAc pH 5.6 buffer and 1 UL PEG buffer (25% PEG 4000 containing 100 mM LiNO3, 10 mM CuSO4 and 100 mM Tris pH 8.0) above 250 UL well buffer (25% PEG 4000 containing 100 mM LiNO3 10 mM CuSO4 and 100 mM Tris pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K |