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 |