5EVE

Crystal structure of Amb a 8 in complex with poly-Pro10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-24
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	35.473, 40.424, 42.004
Unit cell angles	90.00, 91.88, 90.00

Refinement procedure

Resolution	41.980 - 2.550
R-factor	0.2023
Rwork	0.201
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5em0
RMSD bond length	0.006
RMSD bond angle	1.182
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.081	0.048	0.452
Rmeas	0.096	0.059	0.545
Rpim	0.051	0.033	0.301
Total number of observations	13348
Number of reflections	3959
<I/σ(I)>	11		2.46
Completeness [%]	97.1	89.6	91.3
Redundancy	3.4	3.1	2.8
CC(1/2)		0.994	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	1 M Sodium Citrate, pH 6.5, 100 mM sodium cacodylate