4Y7S

Crystal Structure of the CFEM protein Csa2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-12-02
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.341, 61.208, 97.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.672 - 2.000
R-factor	0.1545
Rwork	0.153
R-free	0.19160
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.528
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.061	0.027	0.625
Rmeas	0.063	0.028	0.688
Rpim	0.016	0.007	0.275
Total number of observations	370056
Number of reflections	25528
<I/σ(I)>	12.7		2.04
Completeness [%]	96.0	99.3	67.5
Redundancy	15.1	15.5	5.4
CC(1/2)		1.000	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Protein was mixed at ration of 2:1 with a reservoir (0.1M HEPES pH 7.5, 8% EG, 13.75% PEG 10,000)