4PBQ
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-21 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.449, 76.537, 112.977 |
Unit cell angles | 90.00, 114.01, 90.00 |
Refinement procedure
Resolution | 37.111 - 1.650 |
R-factor | 0.1493 |
Rwork | 0.147 |
R-free | 0.18370 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.179 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.27) |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 103.200 | 103.200 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.106 | 0.061 | 0.719 |
Rpim | 0.055 | 0.033 | 0.382 |
Total number of observations | 564467 | 2954 | 26012 |
Number of reflections | 121100 | ||
<I/σ(I)> | 10.6 | 21.4 | 2.1 |
Completeness [%] | 96.9 | 90 | 95.3 |
Redundancy | 4.7 | 4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Protein (23.86 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM L-Gulonate); Reservoir (0.2 M Ammonium Sulfate, 0.1 M MES pH 6.5, 30 %(w/v) PEG 5000 MME); Cryoprotection (80% Reservoir + 20% diethylene glycol) |