3ESZ
K2AK3A Flavodoxin from Anabaena
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.667, 65.697, 75.643 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 1.940 |
| R-factor | 0.15387 |
| Rwork | 0.151 |
| R-free | 0.19561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1flv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.126 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.840 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.057 | 0.115 |
| Number of reflections | 20353 | |
| Completeness [%] | 98.1 | 95.4 |
| Redundancy | 6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 32% PEG 4000, 0.2-0.3M magnesium chloride, 0.1M Tris/HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
