5N35
Gadolinium phased PBP2 (SSO6202) at 2.2 Ang
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.71076 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 62.150, 62.150, 35.680 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.080 - 2.240 |
R-factor | 0.2294 |
Rwork | 0.227 |
R-free | 0.27480 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.290 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.100 | |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.070 |
Number of reflections | 3963 | |
<I/σ(I)> | 31.6 | 1.3 |
Completeness [%] | 99.0 | 90.7 |
Redundancy | 17 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294.15 | Protein: 42.7 mg/ml in 20 mM Hepes pH 7.5, 0.3 M NaCl, 1mM MgCl2 and 1mM b-ME. Crystallization buffer: 0.2 M NaNO3, 20% PEG 3350 |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294.15 | Protein: 42.7 mg/ml in 20 mM Hepes pH 7.5, 0.3 M NaCl, 1mM MgCl2 and 1mM b-ME. Crystallization buffer: 0.2 M NaNO3, 20% PEG 3350 |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294.15 | Protein: 42.7 mg/ml in 20 mM Hepes pH 7.5, 0.3 M NaCl, 1mM MgCl2 and 1mM b-ME. Crystallization buffer: 0.2 M NaNO3, 20% PEG 3350 |