6B3X

Crystal structure of CstF-50 in complex with CstF-77

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	43.863, 74.491, 95.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 2.300
R-factor	0.21651
Rwork	0.214
R-free	0.26154
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Generated from HHPred derived alignment
RMSD bond length	0.006
RMSD bond angle	1.076
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MR-Rosetta
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.116	0.584
Number of reflections	14491	696
<I/σ(I)>	29.3	3.2
Completeness [%]	98.9	93.2
Redundancy	5.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M MES pH6.0-6.5, 1.6-1.9M ammonium sulfate, 2-5% PEG400, 0.2M NaCl