5NVD
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 98.235, 98.235, 100.619 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 85.070 - 2.500 |
R-factor | 0.20038 |
Rwork | 0.199 |
R-free | 0.23446 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nmu |
RMSD bond length | 0.014 |
RMSD bond angle | 1.732 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.620 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.084 | 1.354 |
Rpim | 0.027 | 0.462 |
Number of reflections | 10477 | 1142 |
<I/σ(I)> | 23.4 | 2.6 |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 18.5 | 17.6 |
CC(1/2) | 0.999 | 0.881 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Protein at 6.08 mg/ml in 50 mM Bicine/KOH pH 7.8, 40 mM KCl, 0.132 mM AMP solution was mixed with reservoir solution containing 0.15 M KSCN, 0.1 M HEPES pH 7.0 and 18% PEG3350 containing 0.1 mM Guanidine hydrochloride. Cryoprotector - reservoir solution with 25% ethylene glycol. |