6HAL
Human carbonmonoxy hemoglobin SFX dataset
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL2 |
Synchrotron site | SACLA |
Beamline | BL2 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2017-12-09 |
Detector | MPCCD |
Wavelength(s) | 1.7 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.800, 157.400, 64.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.350 - 2.200 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21130 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2dn2 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | CrystFEL (0.6.3) |
Data scaling software | XSCALE (VERSION Jan 26, 2018 BUILT=20180126) |
Phasing software | REFMAC (5.8.0189) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.350 | 39.350 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Number of reflections | 29516 | 382 | 2158 |
<I/σ(I)> | 6.5 | ||
Completeness [%] | 99.9 | 96.7 | 100 |
Redundancy | 1 | 1 | 1 |
CC(1/2) | 0.980 | 0.654 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 293 | batch crystallization, using 1.6 M Na/K phosphate, neutal pH as precipitant |