4MNI
Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-23 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 107.228, 107.228, 113.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.877 - 1.900 |
| R-factor | 0.1528 |
| Rwork | 0.151 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mnc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.208 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.950 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.141 | 0.734 |
| Number of reflections | 30901 | |
| <I/σ(I)> | 16.2 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.6 | 21.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 68.01 mg/mL protein in 10 mM HEPES, pH 7.5, 10 mM benzoyl formate, reservoir: MCSG2(C9) (0.2 M sodium fluoride, 20% w/v PEG 3350), cryoprotection: 4:1 reservoir:ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
