6SXN

Crystal structure of P212121 apo form of CrtE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	102.555, 122.973, 134.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.020 - 2.660
R-factor	0.23075
Rwork	0.228
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e8h
RMSD bond length	0.008
RMSD bond angle	1.536
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.017	2.750
High resolution limit [Å]	2.658	2.660
Rmerge	0.056	0.754
Rmeas	0.079	1.066
Rpim	0.056	0.754
Number of reflections	49329	4674
<I/σ(I)>	11.76
Completeness [%]	99.2
Redundancy	1.99
CC(1/2)	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium acetate, 0.1 M sodium acetate (pH 4.6) and 30 % w/v PEG 4000