5WPZ

Crystal structure of MNDA PYD with MBP tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	192.150, 235.610, 73.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.361 - 2.000
R-factor	0.223
Rwork	0.221
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ifp
RMSD bond length	0.003
RMSD bond angle	0.570
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2481: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.000	2.000
Number of reflections	201859
<I/σ(I)>	20.4	3.4
Completeness [%]	89.0	53.4
Redundancy	13.6	12.4
CC(1/2)	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	15% PEG 4000, 0.2M NH4Ac, 0.1M NaAc, pH 5.0