1G5Q

EPID H67N COMPLEXED WITH SUBSTRATE PEPTIDE DSYTC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	90
Detector technology	CCD
Collection date	2000-03-12
Detector	MARRESEARCH
Wavelength(s)	1.0499
Spacegroup name	I 21 3
Unit cell lengths	223.552, 223.552, 223.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.570
R-factor	0.209 *
Rwork	0.209
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	tetramer from EpiD
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.680
High resolution limit [Å]	2.570	2.570
Rmerge	0.068	0.349
Total number of observations	151692 *
Number of reflections	56352 *
<I/σ(I)>	12.2	2
Completeness [%]	93.2	59.4
Redundancy	2.7	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	18 *	100 mM MES/NaOH, 30 % MPD, 10 mM Peptide DSYTC, 3 mM DTT, 120 mM Glycine, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	12 (%)
2	1	reservoir		10 (mM)
3	1	reservoir	Tris-HCl	0.1 (M)