4X35

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)	1.0000
Spacegroup name	I 2 3
Unit cell lengths	102.810, 102.810, 102.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.349 - 1.500
R-factor	0.1295
Rwork	0.127
R-free	0.16950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oh5
RMSD bond length	0.006
RMSD bond angle	1.164
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.000		1.600
High resolution limit [Å]	1.500	10.000	1.500
Rmerge	0.196	0.078	0.479
Rmeas	0.209	0.082	0.548
Total number of observations	216382
Number of reflections	28225	111	4526
<I/σ(I)>	7.69	18.25	2.41
Completeness [%]	96.8	94.9	89
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL	7.5	301	Crystals grew within insect cell, incubated at 301K