4QLW
Azurin mutant M121E with iron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.853, 80.208, 109.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.380 - 2.000 |
| R-factor | 0.20747 |
| Rwork | 0.205 |
| R-free | 0.26189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.940 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (in CCP4 suite) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.380 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 32211 | |
| Completeness [%] | 98.2 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 278 | (NH4)2SO4 (3.25 M), LiNO3 (0.1 M), NaOAc (0.1 M), pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
