5Z54
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-29 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.557, 113.374, 132.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.900 - 2.160 |
R-factor | 0.18406 |
Rwork | 0.182 |
R-free | 0.23028 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yvk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.452 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.360 |
High resolution limit [Å] | 2.160 | 4.900 | 2.280 |
Rmerge | 0.088 | 0.048 | 0.495 |
Rmeas | 0.091 | 0.050 | 0.517 |
Rpim | 0.024 | 0.013 | 0.146 |
Total number of observations | 630102 | ||
Number of reflections | 49997 | 4681 | 4269 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 99.8 | 100 | 98.2 |
Redundancy | 14.3 | 14 | 11.6 |
CC(1/2) | 0.999 | 0.955 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.2M sodium chloride, 20%(w/v) PEG 4000 |