5H7Q

Crystal structure of human MNDA PYD domain with MBP tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	42.040, 68.810, 174.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.870 - 1.451
R-factor	0.2078
Rwork	0.207
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ifp
RMSD bond length	0.005
RMSD bond angle	0.792
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	1.540
High resolution limit [Å]	1.450	1.450
Number of reflections	89636
<I/σ(I)>	23.1	2.1
Completeness [%]	98.9	95.7
Redundancy	5.9	4.1
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% PEG 4000, 0.1M Tris-HCl pH8.0