4QSF
CRYSTAL STRUCTURE of AMIDOHYDROLASE PMI1525 (TARGET EFI-500319) FROM PROTEUS MIRABILIS HI4320, A COMPLEX WITH BUTYRIC ACID AND MANGANESE
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 | 2013-03-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 101.269, 101.269, 65.493 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.460 - 1.650 |
| R-factor | 0.15627 |
| Rwork | 0.155 |
| R-free | 0.18148 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rhg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.567 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.050 | 0.660 |
| Number of reflections | 46783 | |
| <I/σ(I)> | 34.6 | 3.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9.1 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1M BIS-TRIS, PH 5.5, 200MM LITHIUM SULFATE, 25% PEG3350; CRYOPROTECTION: 50MM 4-NITRO-PHENOLBUTYRATE PLUS RESERVOIR SOLUTION; VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
