7W79
Heme exporter HrtBA in complex with Mn-AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-23 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.89236 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 169.369, 169.369, 95.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.540 - 3.100 |
R-factor | 0.2233 |
Rwork | 0.220 |
R-free | 0.26060 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.140 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.040 |
High resolution limit [Å] | 2.990 | 8.110 | 2.990 |
Rmerge | 0.124 | 0.035 | |
Rmeas | 0.128 | 0.037 | |
Rpim | 0.037 | 0.010 | 0.505 |
Total number of observations | 399387 | ||
Number of reflections | 28470 | 1573 | 1386 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 99.8 | 99.5 | 99.9 |
Redundancy | 14 | 13.3 | 9.4 |
CC(1/2) | 0.999 | 0.544 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 22% PEG 4000, 10 mM Na acetate, 10 mM MnCl2, 0.1 M MES pH 6.0 |