4Q4L
Crystal structure of an ATP synthase subunit beta 1 (F1-B1) from Burkholderia thailandensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.420, 97.990, 127.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.1959 |
Rwork | 0.194 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oaa |
RMSD bond length | 0.011 |
RMSD bond angle | 1.465 |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 | |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.045 | 0.019 | 0.541 |
Number of reflections | 29756 | 379 | 2161 |
<I/σ(I)> | 22.69 | 53.4 | 3.49 |
Completeness [%] | 99.9 | 93.1 | 99.9 |
Redundancy | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | ButhA.17369.c.A1.PW35952 at 19.9 mg/mL with 1 mM MnCl2 and 1 mM ATPgS against PACT screen condition B5, 0.1 M MIB buffer pH 8.0, 25% PEG 1500 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 242856b5, unique tracking ID ppm0-6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |