3TLK
Crystal structure of holo FepB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.024, 131.591, 196.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.314 - 1.853 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r5t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.280 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.104 | 0.052 | 0.421 |
| Number of reflections | 79154 | ||
| <I/σ(I)> | 19.17 | 36.26 | 3.07 |
| Completeness [%] | 99.9 | 99.9 | 90.1 |
| Redundancy | 6.7 | 7.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.0M Succinic acid pH 7.0, 0.1M HEPES, 1% w/v Polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
