7CZ2
The complex structure of MSMEG_1954-ADP from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 83.650, 83.650, 100.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.660 - 1.800 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.22380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yjz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.737 |
| Data reduction software | HKL-2000 |
| 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] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.068 | 0.060 | 1.098 |
| Rmeas | 0.072 | 0.064 | 1.157 |
| Rpim | 0.023 | 0.020 | 0.361 |
| Total number of observations | 377947 | ||
| Number of reflections | 38277 | 2073 | 1870 |
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 9.9 | 9.6 | 10.1 |
| CC(1/2) | 0.994 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M calcium acetate hydrate, 0.1M sodium cacodylate trihydrate (pH6.5), 18% PEG 8000 |
