6M2Z
Crystal structure of a formolase, BFD variant M3 from Pseudomonas putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 97.964, 101.385, 110.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.500 - 2.350 |
| R-factor | 0.1784 |
| Rwork | 0.175 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a50 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.532 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 5.050 | 2.350 |
| Rmerge | 0.137 | 0.069 | 0.763 |
| Rmeas | 0.149 | 0.075 | 0.837 |
| Rpim | 0.059 | 0.031 | 0.339 |
| Total number of observations | 146939 | ||
| Number of reflections | 23197 | 2441 | 2246 |
| <I/σ(I)> | 6 | ||
| Completeness [%] | 99.6 | 99.3 | 99.5 |
| Redundancy | 6.3 | 6.1 | 5.8 |
| CC(1/2) | 0.995 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.1 M sodium acetate 4.6, 0.1 M sodium chloride, 12 % w/v PEG 6000 |
