4X3B

A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96862
Spacegroup name	P 43 21 2
Unit cell lengths	78.210, 78.210, 37.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.550 - 2.100
R-factor	0.1904
Rwork	0.186
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.017
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.550		2.300
High resolution limit [Å]	2.100	20.000	2.100
Rmerge	0.251	0.286	0.408
Rmeas	0.263	0.312	0.464
Total number of observations	52295
Number of reflections	6784	7	1488
<I/σ(I)>	5.95	8.33	2.75
Completeness [%]	94.5	53.8	89.1
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4	293	0.1 M Sodium Acetate pH 4.0, 8% (w/v) NaCl